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

C10H9N3O — CID 63656448

IUPAC2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC#CCCn1nc2ccccn2c1=O
InChIInChI=1S/C10H9N3O/c1-2-3-8-13-10(14)12-7-5-4-6-9(12)11-13/h1,4-7H,3,8H2
InChIKeyMHTCFONYEOOHRQ-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.52
Rot. Bonds2

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

2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 63656448) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID63656448
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC#CCCn1nc2ccccn2c1=O
InChIInChI=1S/C10H9N3O/c1-2-3-8-13-10(14)12-7-5-4-6-9(12)11-13/h1,4-7H,3,8H2
InChIKeyMHTCFONYEOOHRQ-UHFFFAOYSA-N
XLogP0.52
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115870969
2-(6-chlorohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62229478
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
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
2-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 66598017
2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86927836
2-[3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 61387565
2-[2-(prop-2-enylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62564034

Frequently Asked Questions

What is the IUPAC name of 2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 63656448) is 2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is C#CCCn1nc2ccccn2c1=O.
What is the InChIKey of 2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is MHTCFONYEOOHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-2-3-8-13-10(14)12-7-5-4-6-9(12)11-13/h1,4-7H,3,8H2.
What are the key properties of 2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 187.20 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 63656448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).