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

C13H18ClN5O — CID 119627298

IUPACN-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cn(-c2ccccc2)nn1.Cl
InChIInChI=1S/C13H17N5O.ClH/c1-13(2,14)9-15-12(19)11-8-18(17-16-11)10-6-4-3-5-7-10;/h3-8H,9,14H2,1-2H3,(H,15,19);1H
InChIKeyMHOKUJHYLPBUPW-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.16
Rot. Bonds4

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

N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride (PubChem CID 119627298) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride
PubChem CID119627298
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC NameN-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cn(-c2ccccc2)nn1.Cl
InChIInChI=1S/C13H17N5O.ClH/c1-13(2,14)9-15-12(19)11-8-18(17-16-11)10-6-4-3-5-7-10;/h3-8H,9,14H2,1-2H3,(H,15,19);1H
InChIKeyMHOKUJHYLPBUPW-UHFFFAOYSA-N
XLogP1.16
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-1-phenyltriazole-4-carboxamide
CID 66169267
N-(3-hydroxy-2,2,4-trimethylpentyl)-1-phenyltriazole-4-carboxamide
CID 109380676
methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
CID 43066587
2-methyl-2-[(1-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61261546
N-cyano-1-phenyltriazole-4-carboxamide
CID 79194691
N-(4-hydroxybutyl)-1-phenyltriazole-4-carboxamide
CID 106843500
6-[(1-phenyltriazole-4-carbonyl)amino]hexanoic acid
CID 119220200
N-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride
CID 119566010
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide
CID 46407569
1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide
CID 111441794
3-[(1-phenyltriazole-4-carbonyl)amino]butanoic acid
CID 43360787
N-[(1-hydroxycycloheptyl)methyl]-1-phenyltriazole-4-carboxamide
CID 111433180

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride (CID 119627298) is N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride is CC(C)(N)CNC(=O)c1cn(-c2ccccc2)nn1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride?
The InChIKey is MHOKUJHYLPBUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.ClH/c1-13(2,14)9-15-12(19)11-8-18(17-16-11)10-6-4-3-5-7-10;/h3-8H,9,14H2,1-2H3,(H,15,19);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119627298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).