5-(2-fluoro-4-methylphenyl)-2-methyl-4H-1,2,4-triazol-3-one

C10H10FN3O — CID 136927933

IUPAC5-(2-fluoro-4-methylphenyl)-2-methyl-4H-1,2,4-triazol-3-one
SMILESCc1ccc(-c2nn(C)c(=O)[nH]2)c(F)c1
InChIInChI=1S/C10H10FN3O/c1-6-3-4-7(8(11)5-6)9-12-10(15)14(2)13-9/h3-5H,1-2H3,(H,12,13,15)
InChIKeyFVWJWVCMHNFGGG-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.22
Rot. Bonds1

About 5-(2-fluoro-4-methylphenyl)-2-methyl-4H-1,2,4-triazol-3-one

5-(2-fluoro-4-methylphenyl)-2-methyl-4H-1,2,4-triazol-3-one (PubChem CID 136927933) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylphenyl)-2-methyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(2-fluoro-4-methylphenyl)-2-methyl-4H-1,2,4-triazol-3-one
PubChem CID136927933
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name5-(2-fluoro-4-methylphenyl)-2-methyl-4H-1,2,4-triazol-3-one
SMILESCc1ccc(-c2nn(C)c(=O)[nH]2)c(F)c1
InChIInChI=1S/C10H10FN3O/c1-6-3-4-7(8(11)5-6)9-12-10(15)14(2)13-9/h3-5H,1-2H3,(H,12,13,15)
InChIKeyFVWJWVCMHNFGGG-UHFFFAOYSA-N
XLogP1.22
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-fluoro-4-methylphenyl)-2-methyl-4H-1,2,4-triazol-3-one with MolForge

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Related Compounds

3-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 135418902
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-4-methyl-5-(4-methylphenyl)-
CID 3088276
3H-1,2,4-Triazol-3-one, 1,2-dihydro-2-methyl-5-phenyl-
CID 135418901
3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl-
CID 120469
4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one
CID 120470
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-fluorophenyl)-4-methyl-
CID 3087750
4-Ethyl-2,4-dihydro-5-phenyl-3H-1,2,4-triazol-3-one
CID 11971119
3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethyl-2-methyl-5-(3-(trifluoromethyl)phenyl)-
CID 3075982
3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-ethyl-4-methyl-5-phenyl-
CID 3087745
3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-
CID 3087748
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl-
CID 3088272

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methylphenyl)-2-methyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-(2-fluoro-4-methylphenyl)-2-methyl-4H-1,2,4-triazol-3-one (CID 136927933) is 5-(2-fluoro-4-methylphenyl)-2-methyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(2-fluoro-4-methylphenyl)-2-methyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-(2-fluoro-4-methylphenyl)-2-methyl-4H-1,2,4-triazol-3-one is Cc1ccc(-c2nn(C)c(=O)[nH]2)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methylphenyl)-2-methyl-4H-1,2,4-triazol-3-one?
The InChIKey is FVWJWVCMHNFGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-6-3-4-7(8(11)5-6)9-12-10(15)14(2)13-9/h3-5H,1-2H3,(H,12,13,15).
What are the key properties of 5-(2-fluoro-4-methylphenyl)-2-methyl-4H-1,2,4-triazol-3-one?
5-(2-fluoro-4-methylphenyl)-2-methyl-4H-1,2,4-triazol-3-one has a molecular weight of 207.21 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methylphenyl)-2-methyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136927933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).