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

C7H11N3O — CID 59932011

IUPAC2,4,6-trimethyl-3-methylidene-1,2,4-triazin-5-one
SMILESC=C1N(C)N=C(C)C(=O)N1C
InChIInChI=1S/C7H11N3O/c1-5-7(11)9(3)6(2)10(4)8-5/h2H2,1,3-4H3
InChIKeyWYHYYVFZYARCQG-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.24
Rot. Bonds

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

2,4,6-trimethyl-3-methylidene-1,2,4-triazin-5-one (PubChem CID 59932011) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-methylidene-1,2,4-triazin-5-one.

Molecular Properties

Compound Name2,4,6-trimethyl-3-methylidene-1,2,4-triazin-5-one
PubChem CID59932011
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2,4,6-trimethyl-3-methylidene-1,2,4-triazin-5-one
SMILESC=C1N(C)N=C(C)C(=O)N1C
InChIInChI=1S/C7H11N3O/c1-5-7(11)9(3)6(2)10(4)8-5/h2H2,1,3-4H3
InChIKeyWYHYYVFZYARCQG-UHFFFAOYSA-N
XLogP0.24
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethyl-3-methylidene-1,2,4-triazin-5-one
CID 58808812
2,4,6-trimethyl-3H-1,2,4-triazin-5-one
CID 21826920

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3-methylidene-1,2,4-triazin-5-one?
The IUPAC name of 2,4,6-trimethyl-3-methylidene-1,2,4-triazin-5-one (CID 59932011) is 2,4,6-trimethyl-3-methylidene-1,2,4-triazin-5-one.
What is the SMILES notation for 2,4,6-trimethyl-3-methylidene-1,2,4-triazin-5-one?
The canonical SMILES for 2,4,6-trimethyl-3-methylidene-1,2,4-triazin-5-one is C=C1N(C)N=C(C)C(=O)N1C.
What is the InChIKey of 2,4,6-trimethyl-3-methylidene-1,2,4-triazin-5-one?
The InChIKey is WYHYYVFZYARCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-7(11)9(3)6(2)10(4)8-5/h2H2,1,3-4H3.
What are the key properties of 2,4,6-trimethyl-3-methylidene-1,2,4-triazin-5-one?
2,4,6-trimethyl-3-methylidene-1,2,4-triazin-5-one has a molecular weight of 153.18 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-methylidene-1,2,4-triazin-5-one is sourced from PubChem (CID 59932011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).