AI33705
1391733-57-5 | 5-(tert-Butoxycarbonyl)-1-methyl-4,5,6,7-tetrahydro-1h-[1,2,3]triazolo[4,5-c]pyridine-7-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI33705
ChemicalName
5-(tert-Butoxycarbonyl)-1-methyl-4,5,6,7-tetrahydro-1h-[1,2,3]triazolo[4,5-c]pyridine-7-carboxylic acid
CasNumber
1391733-57-5
MolecularFormula
C12H18N4O4
MolecularWeight
282.2957
MdlNumber
MFCD23378410
Smiles
OC(=O)C1CN(Cc2c1n(C)nn2)C(=O)OC(C)(C)C
Complexity
409
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-0.3
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CatalogNumber: AI33705
ChemicalName: 5-(tert-Butoxycarbonyl)-1-methyl-4,5,6,7-tetrahydro-1h-[1,2,3]triazolo[4,5-c]pyridine-7-carboxylic acid
CasNumber: 1391733-57-5
MolecularFormula: C12H18N4O4
MolecularWeight: 282.2957
MdlNumber: MFCD23378410
Smiles: OC(=O)C1CN(Cc2c1n(C)nn2)C(=O)OC(C)(C)C
Complexity: 409
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.3
CatalogNumber:
AI33705
ChemicalName:
5-(tert-Butoxycarbonyl)-1-methyl-4,5,6,7-tetrahydro-1h-[1,2,3]triazolo[4,5-c]pyridine-7-carboxylic acid
CasNumber:
1391733-57-5
MolecularFormula:
C12H18N4O4
MolecularWeight:
282.2957
MdlNumber:
MFCD23378410
Smiles:
OC(=O)C1CN(Cc2c1n(C)nn2)C(=O)OC(C)(C)C
Complexity:
409
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.3
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Smiles: FC1(F)CNCc2c1scc2
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__
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__
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Smiles:
FC1(F)CNCc2c1scc2
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
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__
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Smiles: NCC1CN(Cc2c1n(C)nn2)C(=O)OC(C)(C)C
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Smiles:
NCC1CN(Cc2c1n(C)nn2)C(=O)OC(C)(C)C
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__
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__
HeavyAtomCount:
__
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Smiles: IC[C@H]1O[C@@H]2[C@H](C1)CN(CC2)C(=O)OC(C)(C)C
Complexity: __
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UndefinedAtomStereocenterCount: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
IC[C@H]1O[C@@H]2[C@H](C1)CN(CC2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__