3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide

C10H10N4O — CID 91611276

IUPAC3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccc(-c2n[nH]c(C(N)=O)n2)cc1
InChIInChI=1S/C10H10N4O/c1-6-2-4-7(5-3-6)9-12-10(8(11)15)14-13-9/h2-5H,1H3,(H2,11,15)(H,12,13,14)
InChIKeyMHRLFVKTUHKLLF-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.88
Rot. Bonds2

About 3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide

3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 91611276) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID91611276
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccc(-c2n[nH]c(C(N)=O)n2)cc1
InChIInChI=1S/C10H10N4O/c1-6-2-4-7(5-3-6)9-12-10(8(11)15)14-13-9/h2-5H,1H3,(H2,11,15)(H,12,13,14)
InChIKeyMHRLFVKTUHKLLF-UHFFFAOYSA-N
XLogP0.88
TPSA84.66 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 ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 91611276) is 3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide is Cc1ccc(-c2n[nH]c(C(N)=O)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is MHRLFVKTUHKLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-6-2-4-7(5-3-6)9-12-10(8(11)15)14-13-9/h2-5H,1H3,(H2,11,15)(H,12,13,14).
What are the key properties of 3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 202.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 91611276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).