N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide

C11H12N4O — CID 741078

IUPACN-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ncn[nH]2)c1
InChIInChI=1S/C11H12N4O/c1-7-3-4-8(2)9(5-7)14-11(16)10-12-6-13-15-10/h3-6H,1-2H3,(H,14,16)(H,12,13,15)
InChIKeyJXBBZJQHFGRSCZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.67
Rot. Bonds2

About N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide

N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 741078) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID741078
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ncn[nH]2)c1
InChIInChI=1S/C11H12N4O/c1-7-3-4-8(2)9(5-7)14-11(16)10-12-6-13-15-10/h3-6H,1-2H3,(H,14,16)(H,12,13,15)
InChIKeyJXBBZJQHFGRSCZ-UHFFFAOYSA-N
XLogP1.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 741078) is N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide is Cc1ccc(C)c(NC(=O)c2ncn[nH]2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is JXBBZJQHFGRSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7-3-4-8(2)9(5-7)14-11(16)10-12-6-13-15-10/h3-6H,1-2H3,(H,14,16)(H,12,13,15).
What are the key properties of N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide?
N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 741078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).