3-methoxy-2-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-one

C12H13N3O2 — CID 15586992

IUPAC3-methoxy-2-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-one
SMILESCOc1nc(=O)c(-c2ccc(C)cc2)nn1C
InChIInChI=1S/C12H13N3O2/c1-8-4-6-9(7-5-8)10-11(16)13-12(17-3)15(2)14-10/h4-7H,1-3H3
InChIKeyVIJOPGGAHMMDJR-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.16
Rot. Bonds2

About 3-methoxy-2-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-one

3-methoxy-2-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-one (PubChem CID 15586992) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-methoxy-2-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-methoxy-2-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-one
PubChem CID15586992
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-methoxy-2-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-one
SMILESCOc1nc(=O)c(-c2ccc(C)cc2)nn1C
InChIInChI=1S/C12H13N3O2/c1-8-4-6-9(7-5-8)10-11(16)13-12(17-3)15(2)14-10/h4-7H,1-3H3
InChIKeyVIJOPGGAHMMDJR-UHFFFAOYSA-N
XLogP1.16
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-one?
The IUPAC name of 3-methoxy-2-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-one (CID 15586992) is 3-methoxy-2-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-one.
What is the SMILES notation for 3-methoxy-2-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-one?
The canonical SMILES for 3-methoxy-2-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-one is COc1nc(=O)c(-c2ccc(C)cc2)nn1C.
What is the InChIKey of 3-methoxy-2-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-one?
The InChIKey is VIJOPGGAHMMDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-4-6-9(7-5-8)10-11(16)13-12(17-3)15(2)14-10/h4-7H,1-3H3.
What are the key properties of 3-methoxy-2-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-one?
3-methoxy-2-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-one has a molecular weight of 231.25 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-one is sourced from PubChem (CID 15586992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).