4-(2-ethyl-1,2,4-triazol-3-yl)benzamide

C11H12N4O — CID 91531944

IUPAC4-(2-ethyl-1,2,4-triazol-3-yl)benzamide
SMILESCCn1ncnc1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C11H12N4O/c1-2-15-11(13-7-14-15)9-5-3-8(4-6-9)10(12)16/h3-7H,2H2,1H3,(H2,12,16)
InChIKeyGYFDESBKBQGLJE-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.06
Rot. Bonds3

About 4-(2-ethyl-1,2,4-triazol-3-yl)benzamide

4-(2-ethyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 91531944) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(2-ethyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(2-ethyl-1,2,4-triazol-3-yl)benzamide
PubChem CID91531944
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name4-(2-ethyl-1,2,4-triazol-3-yl)benzamide
SMILESCCn1ncnc1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C11H12N4O/c1-2-15-11(13-7-14-15)9-5-3-8(4-6-9)10(12)16/h3-7H,2H2,1H3,(H2,12,16)
InChIKeyGYFDESBKBQGLJE-UHFFFAOYSA-N
XLogP1.06
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethyl-1,2,4-triazol-3-yl)phenol
CID 136641819
[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]methanone
CID 136587756
2-amino-5-(2-ethyl-1,2,4-triazol-3-yl)phenol
CID 62697211
6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine
CID 65348347
4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide
CID 121370392
4-(4-ethylphenyl)benzamide
CID 53425878
4-(4-ethoxyphenyl)benzamide
CID 163572533
4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine
CID 126444550
4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 122143622
3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline
CID 63653002
4-(4-propoxyphenyl)benzamide
CID 23771495
4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide
CID 72895143

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)benzamide (CID 91531944) is 4-(2-ethyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-(2-ethyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-(2-ethyl-1,2,4-triazol-3-yl)benzamide is CCn1ncnc1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(2-ethyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is GYFDESBKBQGLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-15-11(13-7-14-15)9-5-3-8(4-6-9)10(12)16/h3-7H,2H2,1H3,(H2,12,16).
What are the key properties of 4-(2-ethyl-1,2,4-triazol-3-yl)benzamide?
4-(2-ethyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 216.24 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 91531944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).