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

C11H10N4O2 — CID 743922

IUPACN-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ncn[nH]2)cc1
InChIInChI=1S/C11H10N4O2/c1-7(16)8-2-4-9(5-3-8)14-11(17)10-12-6-13-15-10/h2-6H,1H3,(H,14,17)(H,12,13,15)
InChIKeyNUWUSVJCUYLMLH-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.26
Rot. Bonds3

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

N-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 743922) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID743922
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC NameN-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ncn[nH]2)cc1
InChIInChI=1S/C11H10N4O2/c1-7(16)8-2-4-9(5-3-8)14-11(17)10-12-6-13-15-10/h2-6H,1H3,(H,14,17)(H,12,13,15)
InChIKeyNUWUSVJCUYLMLH-UHFFFAOYSA-N
XLogP1.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 741077
N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 779767
N-[4-(pyrimidin-2-ylamino)sulfanylphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 145039639
N-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 81259904
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 755004
N-(2-iodophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 604403
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride
CID 117071392

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 743922) is N-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide is CC(=O)c1ccc(NC(=O)c2ncn[nH]2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is NUWUSVJCUYLMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-7(16)8-2-4-9(5-3-8)14-11(17)10-12-6-13-15-10/h2-6H,1H3,(H,14,17)(H,12,13,15).
What are the key properties of N-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide?
N-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 230.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 743922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).