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

C11H11N3O2 — CID 612374

IUPAC3-methoxy-4-methyl-6-phenyl-1,2,4-triazin-5-one
SMILESCOc1nnc(-c2ccccc2)c(=O)n1C
InChIInChI=1S/C11H11N3O2/c1-14-10(15)9(12-13-11(14)16-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyYJKOMPDJFGZKSS-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.85
Rot. Bonds2

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

3-methoxy-4-methyl-6-phenyl-1,2,4-triazin-5-one (PubChem CID 612374) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-methoxy-4-methyl-6-phenyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-methoxy-4-methyl-6-phenyl-1,2,4-triazin-5-one
PubChem CID612374
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-methoxy-4-methyl-6-phenyl-1,2,4-triazin-5-one
SMILESCOc1nnc(-c2ccccc2)c(=O)n1C
InChIInChI=1S/C11H11N3O2/c1-14-10(15)9(12-13-11(14)16-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyYJKOMPDJFGZKSS-UHFFFAOYSA-N
XLogP0.85
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Desaminometamitron
CID 135413636
3-(Methylsulfanyl)-6-phenyl-1,2,4-triazin-5(2H)-one
CID 135450607
4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one
CID 560485
4-Methyl-6-phenyl-2,3-dihydropyrazin-5-one
CID 11275485
2-methoxyimino-N-methyl-2-phenylacetamide
CID 54556800
2-diazo-2-(p-methylphenyl)-N,N-dimethylacetamide
CID 137082401
4-Octyl-6-(4-propylphenyl)-3-(trifluoromethyl)-1,2,4-triazin-5-one
CID 174976619
2-Methyl-3-methoxy-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine
CID 544892
2,4-Dimethyl-6-phenyl-3,5-dioxo-2,3,4,5-tetrahydro-triazine
CID 583355
3(2H)-Pyridazinone, 4,5-dihydro-2-methyl-6-phenyl-
CID 843809
3-amino-6-phenyl-4H-1,2,4-triazin-5-one
CID 135800499
1-[Diazo(phenyl)acetyl]piperidine
CID 85447902

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-6-phenyl-1,2,4-triazin-5-one?
The IUPAC name of 3-methoxy-4-methyl-6-phenyl-1,2,4-triazin-5-one (CID 612374) is 3-methoxy-4-methyl-6-phenyl-1,2,4-triazin-5-one.
What is the SMILES notation for 3-methoxy-4-methyl-6-phenyl-1,2,4-triazin-5-one?
The canonical SMILES for 3-methoxy-4-methyl-6-phenyl-1,2,4-triazin-5-one is COc1nnc(-c2ccccc2)c(=O)n1C.
What is the InChIKey of 3-methoxy-4-methyl-6-phenyl-1,2,4-triazin-5-one?
The InChIKey is YJKOMPDJFGZKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-10(15)9(12-13-11(14)16-2)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 3-methoxy-4-methyl-6-phenyl-1,2,4-triazin-5-one?
3-methoxy-4-methyl-6-phenyl-1,2,4-triazin-5-one has a molecular weight of 217.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-6-phenyl-1,2,4-triazin-5-one is sourced from PubChem (CID 612374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).