2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-enylacetamide

C11H12N4O2 — CID 47150628

IUPAC2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C11H12N4O2/c1-2-6-12-10(16)8-15-11(17)14-7-4-3-5-9(14)13-15/h2-5,7H,1,6,8H2,(H,12,16)
InChIKeyMCQFOQVFMYDSFC-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.20
Rot. Bonds4

About 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-enylacetamide

2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-enylacetamide (PubChem CID 47150628) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-enylacetamide
PubChem CID47150628
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C11H12N4O2/c1-2-6-12-10(16)8-15-11(17)14-7-4-3-5-9(14)13-15/h2-5,7H,1,6,8H2,(H,12,16)
InChIKeyMCQFOQVFMYDSFC-UHFFFAOYSA-N
XLogP-0.20
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-enylacetamide (CID 47150628) is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-enylacetamide?
The InChIKey is MCQFOQVFMYDSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-6-12-10(16)8-15-11(17)14-7-4-3-5-9(14)13-15/h2-5,7H,1,6,8H2,(H,12,16).
What are the key properties of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-enylacetamide?
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-enylacetamide has a molecular weight of 232.24 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 47150628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).