6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C15H18N4O2 — CID 164640392

IUPAC6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(c1ccc2n[nH]c(=O)n2c1)N1CC[C@H]1C1CCCC1
InChIInChI=1S/C15H18N4O2/c20-14(18-8-7-12(18)10-3-1-2-4-10)11-5-6-13-16-17-15(21)19(13)9-11/h5-6,9-10,12H,1-4,7-8H2,(H,17,21)/t12-/m0/s1
InChIKeyBAWMJSSUEXCEJG-LBPRGKRZSA-N
MW286.33 g/mol
LogP1.43
Rot. Bonds2

About 6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 164640392) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID164640392
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(c1ccc2n[nH]c(=O)n2c1)N1CC[C@H]1C1CCCC1
InChIInChI=1S/C15H18N4O2/c20-14(18-8-7-12(18)10-3-1-2-4-10)11-5-6-13-16-17-15(21)19(13)9-11/h5-6,9-10,12H,1-4,7-8H2,(H,17,21)/t12-/m0/s1
InChIKeyBAWMJSSUEXCEJG-LBPRGKRZSA-N
XLogP1.43
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

N-cyclopropyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 112707994
4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)benzoic acid
CID 81360754
5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one
CID 78989346
6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 167870920
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-hydrazinylphenyl)methanone
CID 82752954
1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone
CID 95334900
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(pyridin-4-yl)methanone
CID 42892856
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-aminophenyl)methanone
CID 90935623
4-[(2S)-2-cyclobutylpyrrolidine-1-carbonyl]benzoic acid
CID 124701022
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-1H-pyridin-2-one
CID 65320539
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 126843674
(2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone
CID 110871773

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 164640392) is 6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(c1ccc2n[nH]c(=O)n2c1)N1CC[C@H]1C1CCCC1.
What is the InChIKey of 6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is BAWMJSSUEXCEJG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14(18-8-7-12(18)10-3-1-2-4-10)11-5-6-13-16-17-15(21)19(13)9-11/h5-6,9-10,12H,1-4,7-8H2,(H,17,21)/t12-/m0/s1.
What are the key properties of 6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 286.33 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 164640392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).