2,6-dimethyl-3-methylidene-1,2,4-triazin-5-one

C6H9N3O — CID 58808812

IUPAC2,6-dimethyl-3-methylidene-1,2,4-triazin-5-one
SMILESC=C1NC(=O)C(C)=NN1C
InChIInChI=1S/C6H9N3O/c1-4-6(10)7-5(2)9(3)8-4/h2H2,1,3H3,(H,7,10)
InChIKeyIOLKWFVXOSSJLJ-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.10
Rot. Bonds

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

2,6-dimethyl-3-methylidene-1,2,4-triazin-5-one (PubChem CID 58808812) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2,6-dimethyl-3-methylidene-1,2,4-triazin-5-one.

Molecular Properties

Compound Name2,6-dimethyl-3-methylidene-1,2,4-triazin-5-one
PubChem CID58808812
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2,6-dimethyl-3-methylidene-1,2,4-triazin-5-one
SMILESC=C1NC(=O)C(C)=NN1C
InChIInChI=1S/C6H9N3O/c1-4-6(10)7-5(2)9(3)8-4/h2H2,1,3H3,(H,7,10)
InChIKeyIOLKWFVXOSSJLJ-UHFFFAOYSA-N
XLogP-0.10
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

2,6-Dimethyl-3,4-dihydro-1,2,4-triazin-5-one
CID 12868414
2-Tert-butyl-6-methyl-3-methylidene-1,2,4-triazin-5-one
CID 58821073
2,4,6-Trimethyl-3-methylidene-1,2,4-triazin-5-one
CID 59932011
6-Methyl-3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one
CID 170452258

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-methylidene-1,2,4-triazin-5-one?
The IUPAC name of 2,6-dimethyl-3-methylidene-1,2,4-triazin-5-one (CID 58808812) is 2,6-dimethyl-3-methylidene-1,2,4-triazin-5-one.
What is the SMILES notation for 2,6-dimethyl-3-methylidene-1,2,4-triazin-5-one?
The canonical SMILES for 2,6-dimethyl-3-methylidene-1,2,4-triazin-5-one is C=C1NC(=O)C(C)=NN1C.
What is the InChIKey of 2,6-dimethyl-3-methylidene-1,2,4-triazin-5-one?
The InChIKey is IOLKWFVXOSSJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-6(10)7-5(2)9(3)8-4/h2H2,1,3H3,(H,7,10).
What are the key properties of 2,6-dimethyl-3-methylidene-1,2,4-triazin-5-one?
2,6-dimethyl-3-methylidene-1,2,4-triazin-5-one has a molecular weight of 139.16 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-methylidene-1,2,4-triazin-5-one is sourced from PubChem (CID 58808812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).