6-methyl-3-phenyl-4H-1,2,4-triazin-5-one

C10H9N3O — CID 135472887

IUPAC6-methyl-3-phenyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C10H9N3O/c1-7-10(14)11-9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)
InChIKeyGQOHHBLOVGBIIF-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.14
Rot. Bonds1

About 6-methyl-3-phenyl-4H-1,2,4-triazin-5-one

6-methyl-3-phenyl-4H-1,2,4-triazin-5-one (PubChem CID 135472887) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 6-methyl-3-phenyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-phenyl-4H-1,2,4-triazin-5-one
PubChem CID135472887
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name6-methyl-3-phenyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C10H9N3O/c1-7-10(14)11-9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)
InChIKeyGQOHHBLOVGBIIF-UHFFFAOYSA-N
XLogP1.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Desaminometamitron
CID 135413636
3,6-Diphenyl-1,2,4-triazin-5-ol
CID 135413064
6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
5,6-Diamino-2-phenylpyrimidin-4(3H)-one
CID 135401368
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
2-Ethyl-6-phenyl-4(3H)-pyrimidinone
CID 135473407
6-Methyl-5-(2-methylprop-2-en-1-yl)-2-phenylpyrimidin-4-ol
CID 135449249
3-(4-Chlorophenyl)-6-methyl-1,2,4-triazin-5-ol
CID 135472873
3-phenyl-6-(2-phenylvinyl)-1,2,4-triazin-5(2H)-one
CID 135445594
3-(2-aminophenyl)-6-methyl-4H-1,2,4-triazin-5-one
CID 135783237
Ethyl 5-hydroxy-3-phenyl-1,2,4-triazine-6-carboxylate
CID 135439813
1-(3,6-Diphenyl-1,2,4,5-tetrazin-1(2H)-yl)ethan-1-one
CID 5248167

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-phenyl-4H-1,2,4-triazin-5-one (CID 135472887) is 6-methyl-3-phenyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-phenyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-phenyl-4H-1,2,4-triazin-5-one is Cc1nnc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-phenyl-4H-1,2,4-triazin-5-one?
The InChIKey is GQOHHBLOVGBIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-7-10(14)11-9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14).
What are the key properties of 6-methyl-3-phenyl-4H-1,2,4-triazin-5-one?
6-methyl-3-phenyl-4H-1,2,4-triazin-5-one has a molecular weight of 187.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135472887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).