AI16240
1251000-46-0 | 3-Aminomethyl-6,7-dihydro-5h,9h-[1,2,4]triazolo[4,3-a][1,4]diazepine-8-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
The price for this product is unavailable. Please request a quote
CatalogNumber
AI16240
ChemicalName
3-Aminomethyl-6,7-dihydro-5h,9h-[1,2,4]triazolo[4,3-a][1,4]diazepine-8-carboxylic acid tert-butyl ester
CasNumber
1251000-46-0
MolecularFormula
C12H21N5O2
MolecularWeight
267.3274
MdlNumber
MFCD17017149
Smiles
NCc1nnc2n1CCCN(C2)C(=O)OC(C)(C)C
Complexity
331
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.9
Compare Similar Items
Show Difference
CatalogNumber: AI16240
ChemicalName: 3-Aminomethyl-6,7-dihydro-5h,9h-[1,2,4]triazolo[4,3-a][1,4]diazepine-8-carboxylic acid tert-butyl ester
CasNumber: 1251000-46-0
MolecularFormula: C12H21N5O2
MolecularWeight: 267.3274
MdlNumber: MFCD17017149
Smiles: NCc1nnc2n1CCCN(C2)C(=O)OC(C)(C)C
Complexity: 331
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.9
CatalogNumber:
AI16240
ChemicalName:
3-Aminomethyl-6,7-dihydro-5h,9h-[1,2,4]triazolo[4,3-a][1,4]diazepine-8-carboxylic acid tert-butyl ester
CasNumber:
1251000-46-0
MolecularFormula:
C12H21N5O2
MolecularWeight:
267.3274
MdlNumber:
MFCD17017149
Smiles:
NCc1nnc2n1CCCN(C2)C(=O)OC(C)(C)C
Complexity:
331
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ncn2-c3ccccc3S(=O)(=O)NCc12
Complexity: 475
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ncn2-c3ccccc3S(=O)(=O)NCc12
Complexity:
475
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1n[nH]c2c1CN(CC2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1n[nH]c2c1CN(CC2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1CCC2(OC1)CCN(CC2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1CCC2(OC1)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__