4-ethyl-3-phenyl-1H-1,2,4-triazol-5-one

C10H11N3O — CID 11971119

IUPAC4-ethyl-3-phenyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C10H11N3O/c1-2-13-9(11-12-10(13)14)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,14)
InChIKeyKUYSJYIEGDSSOY-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.26
Rot. Bonds2

About 4-ethyl-3-phenyl-1H-1,2,4-triazol-5-one

4-ethyl-3-phenyl-1H-1,2,4-triazol-5-one (PubChem CID 11971119) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-ethyl-3-phenyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-phenyl-1H-1,2,4-triazol-5-one
PubChem CID11971119
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-ethyl-3-phenyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C10H11N3O/c1-2-13-9(11-12-10(13)14)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,14)
InChIKeyKUYSJYIEGDSSOY-UHFFFAOYSA-N
XLogP1.26
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-phenyl-4H-1,2,4-triazole-3-thiol
CID 719799
3-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 135418902
4-allyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
CID 1987792
4-ethyl-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 676234
2,4-Dihydro-5-phenyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione
CID 658860
4-benzyl-5-phenyl-4H-1,2,4-triazole-3-thiol
CID 660524
3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-phenyl-
CID 3039311
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-4-methyl-
CID 3087749
3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(4-methylphenyl)-
CID 3088276
3H-1,2,4-Triazol-3-one, 1,2-dihydro-2-methyl-5-phenyl-
CID 135418901
3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 4252358
4-Ethyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 686168

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-phenyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-phenyl-1H-1,2,4-triazol-5-one (CID 11971119) is 4-ethyl-3-phenyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-phenyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-phenyl-1H-1,2,4-triazol-5-one is CCn1c(-c2ccccc2)n[nH]c1=O.
What is the InChIKey of 4-ethyl-3-phenyl-1H-1,2,4-triazol-5-one?
The InChIKey is KUYSJYIEGDSSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-13-9(11-12-10(13)14)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,14).
What are the key properties of 4-ethyl-3-phenyl-1H-1,2,4-triazol-5-one?
4-ethyl-3-phenyl-1H-1,2,4-triazol-5-one has a molecular weight of 189.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-phenyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 11971119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).