AB47783
22819-05-2 | 5-Ethyl-4H-[1,2,4]triazol-3-ylamine
Manufacturer: A2B Chem
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CatalogNumber
AB47783
ChemicalName
5-Ethyl-4H-[1,2,4]triazol-3-ylamine
CasNumber
22819-05-2
MolecularFormula
C4H8N4
MolecularWeight
112.1331
MdlNumber
MFCD02907685
Smiles
CCc1nc(n[nH]1)N
Complexity
74.4
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AB47783
ChemicalName: 5-Ethyl-4H-[1,2,4]triazol-3-ylamine
CasNumber: 22819-05-2
MolecularFormula: C4H8N4
MolecularWeight: 112.1331
MdlNumber: MFCD02907685
Smiles: CCc1nc(n[nH]1)N
Complexity: 74.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AB47783
ChemicalName:
5-Ethyl-4H-[1,2,4]triazol-3-ylamine
CasNumber:
22819-05-2
MolecularFormula:
C4H8N4
MolecularWeight:
112.1331
MdlNumber:
MFCD02907685
Smiles:
CCc1nc(n[nH]1)N
Complexity:
74.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: AB47784
ChemicalName: 2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
CasNumber: 142994-06-7
MolecularFormula: C9H7F3O4S
MolecularWeight: 268.2097
MdlNumber: MFCD09037774
Smiles: OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F
Complexity: 395
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB47784
ChemicalName:
2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
CasNumber:
142994-06-7
MolecularFormula:
C9H7F3O4S
MolecularWeight:
268.2097
MdlNumber:
MFCD09037774
Smiles:
OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F
Complexity:
395
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(CN(C(=O)OC(C)(C)C)C)OCc1cccnc1NCC(=O)OC(Cl)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(CN(C(=O)OC(C)(C)C)C)OCc1cccnc1NCC(=O)OC(Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc2c(c1)[C@H](O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C
Complexity: 674
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc2c(c1)[C@H](O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C
Complexity:
674
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.8