AA16442
116598-69-7 | (6,7,8,9-Tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)-acetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA16442
ChemicalName
(6,7,8,9-Tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)-acetonitrile
CasNumber
116598-69-7
MolecularFormula
C9H12N4
MolecularWeight
176.2184
MdlNumber
MFCD00980781
Smiles
N#CCc1nnc2n1CCCCC2
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
0.2
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CatalogNumber: AA16442
ChemicalName: (6,7,8,9-Tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)-acetonitrile
CasNumber: 116598-69-7
MolecularFormula: C9H12N4
MolecularWeight: 176.2184
MdlNumber: MFCD00980781
Smiles: N#CCc1nnc2n1CCCCC2
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 0.2
CatalogNumber:
AA16442
ChemicalName:
(6,7,8,9-Tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)-acetonitrile
CasNumber:
116598-69-7
MolecularFormula:
C9H12N4
MolecularWeight:
176.2184
MdlNumber:
MFCD00980781
Smiles:
N#CCc1nnc2n1CCCCC2
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Clc1ccc(c(c1)Nc1ccccc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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Smiles:
Clc1ccc(c(c1)Nc1ccccc1)Cl
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
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__
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Smiles: Oc1ccc(nn1)O
Complexity: __
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HydrogenBondAcceptorCount: __
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__
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Smiles:
Oc1ccc(nn1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: O=C(c1nc(Cl)c(nc1N)N)NC=NNCc1ccc(c(c1)Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1nc(Cl)c(nc1N)N)NC=NNCc1ccc(c(c1)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__