6-(4-fluorophenyl)-3-methyl-4H-1,2,4-triazin-5-one

C10H8FN3O — CID 135521879

IUPAC6-(4-fluorophenyl)-3-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C10H8FN3O/c1-6-12-10(15)9(14-13-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13,15)
InChIKeyPYXAZACGYBMHHI-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.28
Rot. Bonds1

About 6-(4-fluorophenyl)-3-methyl-4H-1,2,4-triazin-5-one

6-(4-fluorophenyl)-3-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135521879) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-4H-1,2,4-triazin-5-one
PubChem CID135521879
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name6-(4-fluorophenyl)-3-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C10H8FN3O/c1-6-12-10(15)9(14-13-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13,15)
InChIKeyPYXAZACGYBMHHI-UHFFFAOYSA-N
XLogP1.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-4H-1,2,4-triazin-5-one (CID 135521879) is 6-(4-fluorophenyl)-3-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(-c2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is PYXAZACGYBMHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c1-6-12-10(15)9(14-13-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13,15).
What are the key properties of 6-(4-fluorophenyl)-3-methyl-4H-1,2,4-triazin-5-one?
6-(4-fluorophenyl)-3-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 205.19 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135521879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).