N-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride

C15H22ClN5O — CID 119588205

IUPACN-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cnn(-c2ccccc2)n1.Cl
InChIInChI=1S/C15H21N5O.ClH/c1-11(2)8-12(9-16)18-15(21)14-10-17-20(19-14)13-6-4-3-5-7-13;/h3-7,10-12H,8-9,16H2,1-2H3,(H,18,21);1H
InChIKeyAUQADGBFKSOOKJ-UHFFFAOYSA-N
MW323.83 g/mol
LogP1.79
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride (PubChem CID 119588205) has the molecular formula C15H22ClN5O and a molecular weight of 323.83 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride
PubChem CID119588205
Molecular FormulaC15H22ClN5O
Molecular Weight323.83 g/mol
Exact Mass323.15
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cnn(-c2ccccc2)n1.Cl
InChIInChI=1S/C15H21N5O.ClH/c1-11(2)8-12(9-16)18-15(21)14-10-17-20(19-14)13-6-4-3-5-7-13;/h3-7,10-12H,8-9,16H2,1-2H3,(H,18,21);1H
InChIKeyAUQADGBFKSOOKJ-UHFFFAOYSA-N
XLogP1.79
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 119588721
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CID 63253686
N-pentan-2-yl-2-phenyltriazole-4-carboxamide
CID 18189508
3-methyl-1-(2-phenyltriazol-4-yl)butan-1-one
CID 105077581
(2S)-2-[[2-(4-fluorophenyl)triazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119361393
N-(1-amino-4-methylpentan-2-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 119588329
N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride
CID 119587268
2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide
CID 155961647
N-(1-amino-4-methylpentan-2-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119586641
N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63754723
2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide
CID 124759844
N-(1-amino-4-methylpentan-2-yl)-6-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119587084

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride (CID 119588205) is N-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)c1cnn(-c2ccccc2)n1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride?
The InChIKey is AUQADGBFKSOOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.ClH/c1-11(2)8-12(9-16)18-15(21)14-10-17-20(19-14)13-6-4-3-5-7-13;/h3-7,10-12H,8-9,16H2,1-2H3,(H,18,21);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride has a molecular weight of 323.83 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119588205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).