1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone

C12H13N3O — CID 83886634

IUPAC1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone
SMILESCC(=O)c1ccn2c(C3CCC3)nnc2c1
InChIInChI=1S/C12H13N3O/c1-8(16)10-5-6-15-11(7-10)13-14-12(15)9-3-2-4-9/h5-7,9H,2-4H2,1H3
InChIKeyBCRMZHYLOWHHSS-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.20
Rot. Bonds2

About 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone

1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone (PubChem CID 83886634) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone
PubChem CID83886634
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone
SMILESCC(=O)c1ccn2c(C3CCC3)nnc2c1
InChIInChI=1S/C12H13N3O/c1-8(16)10-5-6-15-11(7-10)13-14-12(15)9-3-2-4-9/h5-7,9H,2-4H2,1H3
InChIKeyBCRMZHYLOWHHSS-UHFFFAOYSA-N
XLogP2.20
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 83640668
3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117144958
1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone
CID 83893649
1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 167832577
3-cyclopropyl-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117144807
7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 53393311
methyl 3-(thian-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117145085
3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145049
3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392994
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one
CID 83893633
(2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
CID 84578205
1-(3-cyclobutyl-1-methylimidazo[1,5-a]pyridin-6-yl)ethanone
CID 83893261

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone?
The IUPAC name of 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone (CID 83886634) is 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone.
What is the SMILES notation for 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone?
The canonical SMILES for 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone is CC(=O)c1ccn2c(C3CCC3)nnc2c1.
What is the InChIKey of 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone?
The InChIKey is BCRMZHYLOWHHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8(16)10-5-6-15-11(7-10)13-14-12(15)9-3-2-4-9/h5-7,9H,2-4H2,1H3.
What are the key properties of 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone?
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone has a molecular weight of 215.26 g/mol, XLogP of 2.20, 2 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-7-yl)ethanone is sourced from PubChem (CID 83886634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).