2-prop-2-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

C9H7N3O — CID 14851942

IUPAC2-prop-2-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC#CCn1nc2ccccn2c1=O
InChIInChI=1S/C9H7N3O/c1-2-6-12-9(13)11-7-4-3-5-8(11)10-12/h1,3-5,7H,6H2
InChIKeyBLMROVQQLFYTKY-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.13
Rot. Bonds1

About 2-prop-2-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-prop-2-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 14851942) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-prop-2-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-prop-2-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID14851942
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name2-prop-2-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC#CCn1nc2ccccn2c1=O
InChIInChI=1S/C9H7N3O/c1-2-6-12-9(13)11-7-4-3-5-8(11)10-12/h1,3-5,7H,6H2
InChIKeyBLMROVQQLFYTKY-UHFFFAOYSA-N
XLogP0.13
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-prop-2-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 14851942) is 2-prop-2-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-prop-2-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-prop-2-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is C#CCn1nc2ccccn2c1=O.
What is the InChIKey of 2-prop-2-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is BLMROVQQLFYTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-2-6-12-9(13)11-7-4-3-5-8(11)10-12/h1,3-5,7H,6H2.
What are the key properties of 2-prop-2-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-prop-2-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 173.17 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 14851942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).