N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

C10H10N4O — CID 53015134

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C10H10N4O/c1-7-11-10(14-13-7)12-9(15)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,13,14,15)
InChIKeyLXVLHCYPHIBKON-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.37
Rot. Bonds2

About N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 53015134) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID53015134
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C10H10N4O/c1-7-11-10(14-13-7)12-9(15)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,13,14,15)
InChIKeyLXVLHCYPHIBKON-UHFFFAOYSA-N
XLogP1.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 53015134) is N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is Cc1nc(NC(=O)c2ccccc2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is LXVLHCYPHIBKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-7-11-10(14-13-7)12-9(15)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,13,14,15).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 202.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 53015134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).