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

C11H10N4O2 — CID 741077

IUPACN-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ncn[nH]2)c1
InChIInChI=1S/C11H10N4O2/c1-7(16)8-3-2-4-9(5-8)14-11(17)10-12-6-13-15-10/h2-6H,1H3,(H,14,17)(H,12,13,15)
InChIKeyLOFWSSLAMXREEH-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.26
Rot. Bonds3

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

N-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 741077) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID741077
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC NameN-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ncn[nH]2)c1
InChIInChI=1S/C11H10N4O2/c1-7(16)8-3-2-4-9(5-8)14-11(17)10-12-6-13-15-10/h2-6H,1H3,(H,14,17)(H,12,13,15)
InChIKeyLOFWSSLAMXREEH-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-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 743922
N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 62793864
1-(3-acetylphenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 61345461
N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468819
N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 779767
N-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 81259904
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 2290422
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 755004
N-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
CID 63653831

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 741077) is N-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide is CC(=O)c1cccc(NC(=O)c2ncn[nH]2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is LOFWSSLAMXREEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-7(16)8-3-2-4-9(5-8)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-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide?
N-(3-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-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 741077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).