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

C13H14N4O2 — CID 164955181

IUPAC7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC=C1CCC(n2nc3cc(C)ccn3c2=O)C(=O)N1
InChIInChI=1S/C13H14N4O2/c1-8-5-6-16-11(7-8)15-17(13(16)19)10-4-3-9(2)14-12(10)18/h5-7,10H,2-4H2,1H3,(H,14,18)
InChIKeyBBONKXQJBVJKMR-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.77
Rot. Bonds1

About 7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 164955181) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID164955181
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC=C1CCC(n2nc3cc(C)ccn3c2=O)C(=O)N1
InChIInChI=1S/C13H14N4O2/c1-8-5-6-16-11(7-8)15-17(13(16)19)10-4-3-9(2)14-12(10)18/h5-7,10H,2-4H2,1H3,(H,14,18)
InChIKeyBBONKXQJBVJKMR-UHFFFAOYSA-N
XLogP0.77
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 164955181) is 7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is C=C1CCC(n2nc3cc(C)ccn3c2=O)C(=O)N1.
What is the InChIKey of 7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is BBONKXQJBVJKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-5-6-16-11(7-8)15-17(13(16)19)10-4-3-9(2)14-12(10)18/h5-7,10H,2-4H2,1H3,(H,14,18).
What are the key properties of 7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
7-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 7-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 164955181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).