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

C10H10N4O — CID 686169

IUPACN-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ncn[nH]2)cc1
InChIInChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)13-10(15)9-11-6-12-14-9/h2-6H,1H3,(H,13,15)(H,11,12,14)
InChIKeyZZJKJERENHEXMK-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.37
Rot. Bonds2

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

N-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 686169) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is N-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID686169
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC NameN-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ncn[nH]2)cc1
InChIInChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)13-10(15)9-11-6-12-14-9/h2-6H,1H3,(H,13,15)(H,11,12,14)
InChIKeyZZJKJERENHEXMK-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-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 686169) is N-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide is Cc1ccc(NC(=O)c2ncn[nH]2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ZZJKJERENHEXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)13-10(15)9-11-6-12-14-9/h2-6H,1H3,(H,13,15)(H,11,12,14).
What are the key properties of N-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
N-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide 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-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 686169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).