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

C10H9N3O2 — CID 135833390

IUPAC3-methoxy-6-phenyl-4H-1,2,4-triazin-5-one
SMILESCOc1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H9N3O2/c1-15-10-11-9(14)8(12-13-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13,14)
InChIKeyXDSJLGULJSFDBJ-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.84
Rot. Bonds2

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

3-methoxy-6-phenyl-4H-1,2,4-triazin-5-one (PubChem CID 135833390) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-methoxy-6-phenyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-methoxy-6-phenyl-4H-1,2,4-triazin-5-one
PubChem CID135833390
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name3-methoxy-6-phenyl-4H-1,2,4-triazin-5-one
SMILESCOc1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H9N3O2/c1-15-10-11-9(14)8(12-13-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13,14)
InChIKeyXDSJLGULJSFDBJ-UHFFFAOYSA-N
XLogP0.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Metamitron
CID 38854
Desaminometamitron
CID 135413636
3,6-Diphenyl-1,2,4-triazin-5-ol
CID 135413064
6-phenyl-3-prop-2-ynylsulfanyl-2H-1,2,4-triazin-5-one
CID 135420625
3-(Methylsulfanyl)-6-phenyl-1,2,4-triazin-5(2H)-one
CID 135450607
(5-Oxo-6-phenyl-4,5-dihydro-[1,2,4]triazin-3-ylsulfanyl)-acetic acid ethyl ester
CID 135412128
6-Benzyl-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one
CID 135479640
3-(Hydroxymethyl)-6-phenyl-4,5-dihydro-1,2,4-triazin-5-one
CID 136230266
2-methoxyimino-N-methyl-2-phenylacetamide
CID 54556800
6-(4-Fluorophenyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one
CID 135604596
2-Methyl-3-methoxy-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine
CID 544892
3-Methoxy-4-methyl-6-phenyl-5-oxo-4,5-dihydro-triazine
CID 612374

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-phenyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-methoxy-6-phenyl-4H-1,2,4-triazin-5-one (CID 135833390) is 3-methoxy-6-phenyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-methoxy-6-phenyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-methoxy-6-phenyl-4H-1,2,4-triazin-5-one is COc1nnc(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-methoxy-6-phenyl-4H-1,2,4-triazin-5-one?
The InChIKey is XDSJLGULJSFDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-15-10-11-9(14)8(12-13-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13,14).
What are the key properties of 3-methoxy-6-phenyl-4H-1,2,4-triazin-5-one?
3-methoxy-6-phenyl-4H-1,2,4-triazin-5-one has a molecular weight of 203.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-phenyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135833390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).