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

C15H23Cl2N5O — CID 119608584

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cccc(-n2cncn2)c1.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-11(2)15(3,8-16)19-14(21)12-5-4-6-13(7-12)20-10-17-9-18-20;;/h4-7,9-11H,8,16H2,1-3H3,(H,19,21);2*1H
InChIKeyZVMKKMDZTFJLEK-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.21
Rot. Bonds5

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

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride (PubChem CID 119608584) has the molecular formula C15H23Cl2N5O and a molecular weight of 360.29 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
PubChem CID119608584
Molecular FormulaC15H23Cl2N5O
Molecular Weight360.29 g/mol
Exact Mass359.13
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cccc(-n2cncn2)c1.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-11(2)15(3,8-16)19-14(21)12-5-4-6-13(7-12)20-10-17-9-18-20;;/h4-7,9-11H,8,16H2,1-3H3,(H,19,21);2*1H
InChIKeyZVMKKMDZTFJLEK-UHFFFAOYSA-N
XLogP2.21
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
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N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
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N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
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N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
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3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
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N-(2-hydroxy-2,5-dimethylhexyl)-3-(1,2,4-triazol-1-yl)benzamide
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CID 168912092
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride
CID 119609096
N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide
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4-methyl-2-[[[3-(1,2,4-triazol-1-yl)benzoyl]amino]methyl]pentanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride (CID 119608584) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride is CC(C)C(C)(CN)NC(=O)c1cccc(-n2cncn2)c1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride?
The InChIKey is ZVMKKMDZTFJLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.2ClH/c1-11(2)15(3,8-16)19-14(21)12-5-4-6-13(7-12)20-10-17-9-18-20;;/h4-7,9-11H,8,16H2,1-3H3,(H,19,21);2*1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.21, 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)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride is sourced from PubChem (CID 119608584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).