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

C11H11N3O2 — CID 544892

IUPAC3-methoxy-2-methyl-6-phenyl-1,2,4-triazin-5-one
SMILESCOc1nc(=O)c(-c2ccccc2)nn1C
InChIInChI=1S/C11H11N3O2/c1-14-11(16-2)12-10(15)9(13-14)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyIRFFVDCNZZCJFS-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.85
Rot. Bonds2

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

3-methoxy-2-methyl-6-phenyl-1,2,4-triazin-5-one (PubChem CID 544892) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-methoxy-2-methyl-6-phenyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-methoxy-2-methyl-6-phenyl-1,2,4-triazin-5-one
PubChem CID544892
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-methoxy-2-methyl-6-phenyl-1,2,4-triazin-5-one
SMILESCOc1nc(=O)c(-c2ccccc2)nn1C
InChIInChI=1S/C11H11N3O2/c1-14-11(16-2)12-10(15)9(13-14)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyIRFFVDCNZZCJFS-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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-6-phenyl-1,2,4-triazin-5-one?
The IUPAC name of 3-methoxy-2-methyl-6-phenyl-1,2,4-triazin-5-one (CID 544892) is 3-methoxy-2-methyl-6-phenyl-1,2,4-triazin-5-one.
What is the SMILES notation for 3-methoxy-2-methyl-6-phenyl-1,2,4-triazin-5-one?
The canonical SMILES for 3-methoxy-2-methyl-6-phenyl-1,2,4-triazin-5-one is COc1nc(=O)c(-c2ccccc2)nn1C.
What is the InChIKey of 3-methoxy-2-methyl-6-phenyl-1,2,4-triazin-5-one?
The InChIKey is IRFFVDCNZZCJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-11(16-2)12-10(15)9(13-14)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 3-methoxy-2-methyl-6-phenyl-1,2,4-triazin-5-one?
3-methoxy-2-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-2-methyl-6-phenyl-1,2,4-triazin-5-one is sourced from PubChem (CID 544892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).