AB58821
81606-79-3 | 2-(1H-1,2,4-Triazol-1-yl)acetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB58821
ChemicalName
2-(1H-1,2,4-Triazol-1-yl)acetonitrile
CasNumber
81606-79-3
MolecularFormula
C4H4N4
MolecularWeight
108.10136000000001
MdlNumber
MFCD00792910
Smiles
C(n1cncn1)C#N
Complexity
113
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
-0.1
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CatalogNumber: AB58821
ChemicalName: 2-(1H-1,2,4-Triazol-1-yl)acetonitrile
CasNumber: 81606-79-3
MolecularFormula: C4H4N4
MolecularWeight: 108.10136000000001
MdlNumber: MFCD00792910
Smiles: C(n1cncn1)C#N
Complexity: 113
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: -0.1
CatalogNumber:
AB58821
ChemicalName:
2-(1H-1,2,4-Triazol-1-yl)acetonitrile
CasNumber:
81606-79-3
MolecularFormula:
C4H4N4
MolecularWeight:
108.10136000000001
MdlNumber:
MFCD00792910
Smiles:
C(n1cncn1)C#N
Complexity:
113
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccccc1c1nc2c([nH]1)cccc2
Complexity: 243
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccccc1c1nc2c([nH]1)cccc2
Complexity:
243
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6
CatalogNumber: AB58823
ChemicalName: 2-(Imidazol-1-yl)-3-cyanopyridine
CasNumber: 94448-88-1
MolecularFormula: C9H6N4
MolecularWeight: 170.1707
MdlNumber: MFCD09863416
Smiles: N#Cc1cccnc1n1cncc1
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AB58823
ChemicalName:
2-(Imidazol-1-yl)-3-cyanopyridine
CasNumber:
94448-88-1
MolecularFormula:
C9H6N4
MolecularWeight:
170.1707
MdlNumber:
MFCD09863416
Smiles:
N#Cc1cccnc1n1cncc1
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCc1cnc[nH]1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCc1cnc[nH]1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__