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

C16H24ClN5O — CID 119587268

IUPACN-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cn(Cc2ccccc2)nn1.Cl
InChIInChI=1S/C16H23N5O.ClH/c1-12(2)8-14(9-17)18-16(22)15-11-21(20-19-15)10-13-6-4-3-5-7-13;/h3-7,11-12,14H,8-10,17H2,1-2H3,(H,18,22);1H
InChIKeyNUVVYBAWUOVNAQ-UHFFFAOYSA-N
MW337.86 g/mol
LogP1.85
Rot. Bonds7

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

N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride (PubChem CID 119587268) has the molecular formula C16H24ClN5O and a molecular weight of 337.86 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride
PubChem CID119587268
Molecular FormulaC16H24ClN5O
Molecular Weight337.86 g/mol
Exact Mass337.17
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cn(Cc2ccccc2)nn1.Cl
InChIInChI=1S/C16H23N5O.ClH/c1-12(2)8-14(9-17)18-16(22)15-11-21(20-19-15)10-13-6-4-3-5-7-13;/h3-7,11-12,14H,8-10,17H2,1-2H3,(H,18,22);1H
InChIKeyNUVVYBAWUOVNAQ-UHFFFAOYSA-N
XLogP1.85
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.86
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 119586721
N-(1-amino-4-methylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide
CID 119585740
1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide
CID 51647259
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
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1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide
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1-benzyl-N-[(1S)-1-(3,4-difluorophenyl)ethyl]triazole-4-carboxamide
CID 51646685
N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119588721
1-benzyltriazole-4-carbonyl chloride
CID 87720228
N-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride
CID 119588205
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide
CID 81407262
N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide
CID 119574287

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride (CID 119587268) is N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)c1cn(Cc2ccccc2)nn1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride?
The InChIKey is NUVVYBAWUOVNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O.ClH/c1-12(2)8-14(9-17)18-16(22)15-11-21(20-19-15)10-13-6-4-3-5-7-13;/h3-7,11-12,14H,8-10,17H2,1-2H3,(H,18,22);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride has a molecular weight of 337.86 g/mol, XLogP of 1.85, 7 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)-1-benzyltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119587268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).