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

C9H9N3O — CID 70521154

IUPAC2-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC=CCn1nc2ccccn2c1=O
InChIInChI=1S/C9H9N3O/c1-2-6-12-9(13)11-7-4-3-5-8(11)10-12/h2-5,7H,1,6H2
InChIKeyFIVPZQAKGXTYTB-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.68
Rot. Bonds2

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

2-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 70521154) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID70521154
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC=CCn1nc2ccccn2c1=O
InChIInChI=1S/C9H9N3O/c1-2-6-12-9(13)11-7-4-3-5-8(11)10-12/h2-5,7H,1,6H2
InChIKeyFIVPZQAKGXTYTB-UHFFFAOYSA-N
XLogP0.68
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one
CID 81431
Triazolopropionic aldehyde
CID 58589368
2-(3-Chloropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 13041248
2-(2-bromoethyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42943777
N,N-dimethyl-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazine-1-carboxamide
CID 45818016
2-(3-aminopropyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43184095
2-(Chloromethyl)-2,3-dihydro-S-triazolo(4,3-A)pyridin-3-one
CID 5083753
2-(2-aminoethyl)-2H,3H-(1,2,4)triazolo(4,3-a)pyridin-3-one
CID 43184083
2-(3-hydroxypropyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43509745
2-(2-propynyl)-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one
CID 14851942
N,N-dimethyl-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 72019304
Sodium 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one
CID 70507128

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 70521154) is 2-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is C=CCn1nc2ccccn2c1=O.
What is the InChIKey of 2-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is FIVPZQAKGXTYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-2-6-12-9(13)11-7-4-3-5-8(11)10-12/h2-5,7H,1,6H2.
What are the key properties of 2-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 175.19 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 70521154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).