N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride

C13H19Cl2N5O — CID 119524675

IUPACN-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
SMILESCC(C)(CN)NC(=O)c1cccc(-n2cncn2)c1.Cl.Cl
InChIInChI=1S/C13H17N5O.2ClH/c1-13(2,7-14)17-12(19)10-4-3-5-11(6-10)18-9-15-8-16-18;;/h3-6,8-9H,7,14H2,1-2H3,(H,17,19);2*1H
InChIKeySZWCNYXTPQKPRM-UHFFFAOYSA-N
MW332.24 g/mol
LogP1.58
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride

N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride (PubChem CID 119524675) has the molecular formula C13H19Cl2N5O and a molecular weight of 332.24 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
PubChem CID119524675
Molecular FormulaC13H19Cl2N5O
Molecular Weight332.24 g/mol
Exact Mass331.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
SMILESCC(C)(CN)NC(=O)c1cccc(-n2cncn2)c1.Cl.Cl
InChIInChI=1S/C13H17N5O.2ClH/c1-13(2,7-14)17-12(19)10-4-3-5-11(6-10)18-9-15-8-16-18;;/h3-6,8-9H,7,14H2,1-2H3,(H,17,19);2*1H
InChIKeySZWCNYXTPQKPRM-UHFFFAOYSA-N
XLogP1.58
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119608584
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119630093
ethane;3-(1,2,4-triazol-1-yl)benzoic acid
CID 168912092
3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119523948
N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide
CID 111483214
N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride
CID 119523789
N-(2-hydroxy-2,5-dimethylhexyl)-3-(1,2,4-triazol-1-yl)benzamide
CID 111485159
ethyl 5,5-dimethyl-2-[[3-(1,2,4-triazol-1-yl)benzoyl]amino]hex-3-enoate
CID 175584262
N-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide
CID 99162356
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide
CID 95770009
4-methyl-2-[[[3-(1,2,4-triazol-1-yl)benzoyl]amino]methyl]pentanoic acid
CID 119252775
N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride
CID 119609078

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride (CID 119524675) is N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride is CC(C)(CN)NC(=O)c1cccc(-n2cncn2)c1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride?
The InChIKey is SZWCNYXTPQKPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.2ClH/c1-13(2,7-14)17-12(19)10-4-3-5-11(6-10)18-9-15-8-16-18;;/h3-6,8-9H,7,14H2,1-2H3,(H,17,19);2*1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride?
N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride has a molecular weight of 332.24 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride is sourced from PubChem (CID 119524675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).