2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C10H11N3O2 — CID 117131124

IUPAC2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cccc2nc(C3CCOC3)[nH]n12
InChIInChI=1S/C10H11N3O2/c14-9-3-1-2-8-11-10(12-13(8)9)7-4-5-15-6-7/h1-3,7H,4-6H2,(H,11,12)
InChIKeyKXMGFWQLUPJUOV-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.53
Rot. Bonds1

About 2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 117131124) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID117131124
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cccc2nc(C3CCOC3)[nH]n12
InChIInChI=1S/C10H11N3O2/c14-9-3-1-2-8-11-10(12-13(8)9)7-4-5-15-6-7/h1-3,7H,4-6H2,(H,11,12)
InChIKeyKXMGFWQLUPJUOV-UHFFFAOYSA-N
XLogP0.53
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one
CID 98312732
6-ethyl-7-methyl-2-(oxan-4-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 165470725
5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130287536
5-bromo-2-(oxolan-3-yl)imidazo[1,2-a]pyridine
CID 117131122
2-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonyl chloride
CID 165499953
2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92577551
6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione
CID 74249301
6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
CID 121282067
4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 137264745
5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 79442335
4-(oxolan-3-yl)-1H-benzimidazole
CID 59279276
(3R)-3-phenyloxolane
CID 92859476

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 117131124) is 2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is O=c1cccc2nc(C3CCOC3)[nH]n12.
What is the InChIKey of 2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is KXMGFWQLUPJUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-9-3-1-2-8-11-10(12-13(8)9)7-4-5-15-6-7/h1-3,7H,4-6H2,(H,11,12).
What are the key properties of 2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 205.22 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 117131124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).