2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C12H17N3O — CID 116618637

IUPAC2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCC(CC)Cn1nc2ccccn2c1=O
InChIInChI=1S/C12H17N3O/c1-3-10(4-2)9-15-12(16)14-8-6-5-7-11(14)13-15/h5-8,10H,3-4,9H2,1-2H3
InChIKeyRQUOBAFVDUCJGX-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.93
Rot. Bonds4

About 2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 116618637) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID116618637
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCC(CC)Cn1nc2ccccn2c1=O
InChIInChI=1S/C12H17N3O/c1-3-10(4-2)9-15-12(16)14-8-6-5-7-11(14)13-15/h5-8,10H,3-4,9H2,1-2H3
InChIKeyRQUOBAFVDUCJGX-UHFFFAOYSA-N
XLogP1.93
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-methyl-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 116618681
2-[2-(bromomethyl)-3-methylbutyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 65011802
2-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115633546
2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43165993
2-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 63913073
2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 63656448
2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 75864744
2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 106800246
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 116618637) is 2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCC(CC)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is RQUOBAFVDUCJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-10(4-2)9-15-12(16)14-8-6-5-7-11(14)13-15/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 219.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 116618637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).