6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C13H14N4O2 — CID 164957150

About 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 164957150) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

• Compound Name: 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
• PubChem CID: 164957150
• Molecular Formula: C13H14N4O2
• Molecular Weight: 258.28 g/mol
• Exact Mass: 258.11
• IUPAC Name: 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
• SMILES: C=C1CCC(n2nc3ccc(C)cn3c2=O)C(=O)N1
• InChI: InChI=1S/C13H14N4O2/c1-8-3-6-11-15-17(13(19)16(11)7-8)10-5-4-9(2)14-12(10)18/h3,6-7,10H,2,4-5H2,1H3,(H,14,18)
• InChIKey: SEYLNSIYLJXQCR-UHFFFAOYSA-N
• XLogP: 0.77
• TPSA: 68.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	258.28
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?

The IUPAC name of 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 164957150) is 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

What is the SMILES notation for 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?

The canonical SMILES for 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is C=C1CCC(n2nc3ccc(C)cn3c2=O)C(=O)N1.

What is the InChIKey of 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?

The InChIKey is SEYLNSIYLJXQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-3-6-11-15-17(13(19)16(11)7-8)10-5-4-9(2)14-12(10)18/h3,6-7,10H,2,4-5H2,1H3,(H,14,18).

What are the key properties of 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?

6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 258.28 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 164957150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).