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

C11H11N3O — CID 115870969

IUPAC2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC#CCCCn1nc2ccccn2c1=O
InChIInChI=1S/C11H11N3O/c1-2-3-5-9-14-11(15)13-8-6-4-7-10(13)12-14/h1,4,6-8H,3,5,9H2
InChIKeyAKLNMJXIYHGNNS-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.91
Rot. Bonds3

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

2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 115870969) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID115870969
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC#CCCCn1nc2ccccn2c1=O
InChIInChI=1S/C11H11N3O/c1-2-3-5-9-14-11(15)13-8-6-4-7-10(13)12-14/h1,4,6-8H,3,5,9H2
InChIKeyAKLNMJXIYHGNNS-UHFFFAOYSA-N
XLogP0.91
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 63656448
2-(6-chlorohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62229478
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
2-[3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 61387565
2-(5-amino-4,4-dimethylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 65254173
2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 59225842
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618637
2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42954885
2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79411350

Frequently Asked Questions

What is the IUPAC name of 2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 115870969) is 2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is C#CCCCn1nc2ccccn2c1=O.
What is the InChIKey of 2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is AKLNMJXIYHGNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-3-5-9-14-11(15)13-8-6-4-7-10(13)12-14/h1,4,6-8H,3,5,9H2.
What are the key properties of 2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 201.23 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 115870969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).