5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one

C14H11FN4O — CID 95849232

IUPAC5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one
SMILESCn1nc(-c2ccc(F)cc2)n(-c2ccncc2)c1=O
InChIInChI=1S/C14H11FN4O/c1-18-14(20)19(12-6-8-16-9-7-12)13(17-18)10-2-4-11(15)5-3-10/h2-9H,1H3
InChIKeyDVPXSGSXTBGYLJ-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.77
Rot. Bonds2

About 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one

5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one (PubChem CID 95849232) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one
PubChem CID95849232
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one
SMILESCn1nc(-c2ccc(F)cc2)n(-c2ccncc2)c1=O
InChIInChI=1S/C14H11FN4O/c1-18-14(20)19(12-6-8-16-9-7-12)13(17-18)10-2-4-11(15)5-3-10/h2-9H,1H3
InChIKeyDVPXSGSXTBGYLJ-UHFFFAOYSA-N
XLogP1.77
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-2-methyl-5-(methylamino)-1,2,4-triazol-3-one
CID 82841703
4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione
CID 86812176
4-[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyridine
CID 40757100
5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 21045476
4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine
CID 90240870
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18673983
5-(3-fluorophenyl)-4-pyridin-4-yl-2-(pyridin-3-ylmethyl)-1,2,4-triazol-3-one
CID 95807081
6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione
CID 50947812
2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494761
6-[4-(4-fluorophenyl)phenyl]-2,5-dimethylpyridazin-3-one
CID 20569973
3-(4-fluorophenyl)-2-phenylpyrimidin-4-one
CID 13280767
N,N-diethyl-2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1154337

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one (CID 95849232) is 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one is Cn1nc(-c2ccc(F)cc2)n(-c2ccncc2)c1=O.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one?
The InChIKey is DVPXSGSXTBGYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-18-14(20)19(12-6-8-16-9-7-12)13(17-18)10-2-4-11(15)5-3-10/h2-9H,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one?
5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one has a molecular weight of 270.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 95849232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).