AD06023
684249-99-8 | 2-(3,5-Dimethyl-1h-1,2,4-triazol-1-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AD06023
ChemicalName
2-(3,5-Dimethyl-1h-1,2,4-triazol-1-yl)acetic acid
CasNumber
684249-99-8
MolecularFormula
C6H9N3O2
MolecularWeight
155.1546
MdlNumber
MFCD05864548
Smiles
Cc1nc(nn1CC(=O)O)C
Complexity
162
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.5
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CatalogNumber: AD06023
ChemicalName: 2-(3,5-Dimethyl-1h-1,2,4-triazol-1-yl)acetic acid
CasNumber: 684249-99-8
MolecularFormula: C6H9N3O2
MolecularWeight: 155.1546
MdlNumber: MFCD05864548
Smiles: Cc1nc(nn1CC(=O)O)C
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AD06023
ChemicalName:
2-(3,5-Dimethyl-1h-1,2,4-triazol-1-yl)acetic acid
CasNumber:
684249-99-8
MolecularFormula:
C6H9N3O2
MolecularWeight:
155.1546
MdlNumber:
MFCD05864548
Smiles:
Cc1nc(nn1CC(=O)O)C
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.5
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Smiles: O=C(N1CCN(CC1)c1cccc2n1ccn2)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
O=C(N1CCN(CC1)c1cccc2n1ccn2)OC(C)(C)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: O=Cc1nc(Cl)cc(n1)Cl
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Xlogp3: __
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Smiles:
O=Cc1nc(Cl)cc(n1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularWeight: __
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Smiles: O=C(N1CCN(CC1)c1nc2c(s1)cccc2)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCN(CC1)c1nc2c(s1)cccc2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__