N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride

C16H24ClN5O — CID 119609078

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride
SMILESCc1cc(-n2cncn2)ccc1C(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C16H23N5O.ClH/c1-11(2)16(4,8-17)20-15(22)14-6-5-13(7-12(14)3)21-10-18-9-19-21;/h5-7,9-11H,8,17H2,1-4H3,(H,20,22);1H
InChIKeyGDOMKRYWVCSHII-UHFFFAOYSA-N
MW337.86 g/mol
LogP2.10
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride (PubChem CID 119609078) has the molecular formula C16H24ClN5O and a molecular weight of 337.86 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride
PubChem CID119609078
Molecular FormulaC16H24ClN5O
Molecular Weight337.86 g/mol
Exact Mass337.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride
SMILESCc1cc(-n2cncn2)ccc1C(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C16H23N5O.ClH/c1-11(2)16(4,8-17)20-15(22)14-6-5-13(7-12(14)3)21-10-18-9-19-21;/h5-7,9-11H,8,17H2,1-4H3,(H,20,22);1H
InChIKeyGDOMKRYWVCSHII-UHFFFAOYSA-N
XLogP2.10
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.86
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride (CID 119609078) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride is Cc1cc(-n2cncn2)ccc1C(=O)NC(C)(CN)C(C)C.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride?
The InChIKey is GDOMKRYWVCSHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O.ClH/c1-11(2)16(4,8-17)20-15(22)14-6-5-13(7-12(14)3)21-10-18-9-19-21;/h5-7,9-11H,8,17H2,1-4H3,(H,20,22);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride has a molecular weight of 337.86 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119609078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).