1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one

C13H15N3O — CID 83893633

IUPAC1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one
SMILESCC(=O)Cc1ccc2nnc(C3CCC3)n2c1
InChIInChI=1S/C13H15N3O/c1-9(17)7-10-5-6-12-14-15-13(16(12)8-10)11-3-2-4-11/h5-6,8,11H,2-4,7H2,1H3
InChIKeyLZDRTPLQZPCURA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.13
Rot. Bonds3

About 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one

1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one (PubChem CID 83893633) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one
PubChem CID83893633
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one
SMILESCC(=O)Cc1ccc2nnc(C3CCC3)n2c1
InChIInChI=1S/C13H15N3O/c1-9(17)7-10-5-6-12-14-15-13(16(12)8-10)11-3-2-4-11/h5-6,8,11H,2-4,7H2,1H3
InChIKeyLZDRTPLQZPCURA-UHFFFAOYSA-N
XLogP2.13
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone
CID 83893649
(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 83866625
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclopropanecarboxamide
CID 53014288
3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800490
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 127944775
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone
CID 83886634
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 126785197
[3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 117138239
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134796645
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 136533507
1-(3-chloroimidazo[1,2-a]pyridin-6-yl)propan-2-one
CID 83834345
3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138470

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one?
The IUPAC name of 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one (CID 83893633) is 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one.
What is the SMILES notation for 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one?
The canonical SMILES for 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one is CC(=O)Cc1ccc2nnc(C3CCC3)n2c1.
What is the InChIKey of 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one?
The InChIKey is LZDRTPLQZPCURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(17)7-10-5-6-12-14-15-13(16(12)8-10)11-3-2-4-11/h5-6,8,11H,2-4,7H2,1H3.
What are the key properties of 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one?
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one is sourced from PubChem (CID 83893633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).