2-(2-chlorophenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone

C17H15ClN4O — CID 163358468

IUPAC2-(2-chlorophenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CC(c2nnc3ccccn23)C1
InChIInChI=1S/C17H15ClN4O/c18-14-6-2-1-5-12(14)9-16(23)21-10-13(11-21)17-20-19-15-7-3-4-8-22(15)17/h1-8,13H,9-11H2
InChIKeyWHFHQMRXDRQORN-UHFFFAOYSA-N
MW326.79 g/mol
LogP2.55
Rot. Bonds3

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

2-(2-chlorophenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone (PubChem CID 163358468) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone
PubChem CID163358468
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name2-(2-chlorophenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CC(c2nnc3ccccn23)C1
InChIInChI=1S/C17H15ClN4O/c18-14-6-2-1-5-12(14)9-16(23)21-10-13(11-21)17-20-19-15-7-3-4-8-22(15)17/h1-8,13H,9-11H2
InChIKeyWHFHQMRXDRQORN-UHFFFAOYSA-N
XLogP2.55
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone
CID 165435942
2-(2-chlorophenyl)sulfanyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 31742653
2-imidazo[1,2-a]pyridin-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 86924751
2-(4-chloroindol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 56762563
1-(4-chlorophenyl)-4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butane-1,4-dione
CID 38172531
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 42885973
2-(3-methylphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 134813379
4-pyrrol-1-yl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 128963578
2-(2-chloro-4-fluorophenoxy)-1-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 51926461
2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662368
2-(3-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 46534448
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 100857802

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone (CID 163358468) is 2-(2-chlorophenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CC(c2nnc3ccccn23)C1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone?
The InChIKey is WHFHQMRXDRQORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-14-6-2-1-5-12(14)9-16(23)21-10-13(11-21)17-20-19-15-7-3-4-8-22(15)17/h1-8,13H,9-11H2.
What are the key properties of 2-(2-chlorophenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone has a molecular weight of 326.79 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 163358468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).