2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one

C11H13N3O — CID 15586385

IUPAC2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one
SMILESCC1NC(=O)N(C)N=C1c1ccccc1
InChIInChI=1S/C11H13N3O/c1-8-10(9-6-4-3-5-7-9)13-14(2)11(15)12-8/h3-8H,1-2H3,(H,12,15)
InChIKeyUKXZLIHBIJGSGC-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.43
Rot. Bonds1

About 2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one

2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one (PubChem CID 15586385) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one.

Molecular Properties

Compound Name2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one
PubChem CID15586385
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one
SMILESCC1NC(=O)N(C)N=C1c1ccccc1
InChIInChI=1S/C11H13N3O/c1-8-10(9-6-4-3-5-7-9)13-14(2)11(15)12-8/h3-8H,1-2H3,(H,12,15)
InChIKeyUKXZLIHBIJGSGC-UHFFFAOYSA-N
XLogP1.43
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one?
The IUPAC name of 2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one (CID 15586385) is 2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one.
What is the SMILES notation for 2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one?
The canonical SMILES for 2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one is CC1NC(=O)N(C)N=C1c1ccccc1.
What is the InChIKey of 2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one?
The InChIKey is UKXZLIHBIJGSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-10(9-6-4-3-5-7-9)13-14(2)11(15)12-8/h3-8H,1-2H3,(H,12,15).
What are the key properties of 2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one?
2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one has a molecular weight of 203.25 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-phenyl-4,5-dihydro-1,2,4-triazin-3-one is sourced from PubChem (CID 15586385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).