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

C11H13N3O2 — CID 117131385

IUPAC2-(oxolan-3-ylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cccc2nc(CC3CCOC3)[nH]n12
InChIInChI=1S/C11H13N3O2/c15-11-3-1-2-10-12-9(13-14(10)11)6-8-4-5-16-7-8/h1-3,8H,4-7H2,(H,12,13)
InChIKeyBOQQFVNIKSIKFW-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.60
Rot. Bonds2

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

2-(oxolan-3-ylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 117131385) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID117131385
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(oxolan-3-ylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cccc2nc(CC3CCOC3)[nH]n12
InChIInChI=1S/C11H13N3O2/c15-11-3-1-2-10-12-9(13-14(10)11)6-8-4-5-16-7-8/h1-3,8H,4-7H2,(H,12,13)
InChIKeyBOQQFVNIKSIKFW-UHFFFAOYSA-N
XLogP0.60
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-(oxolan-3-ylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 117131385) is 2-(oxolan-3-ylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-(oxolan-3-ylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is O=c1cccc2nc(CC3CCOC3)[nH]n12.
What is the InChIKey of 2-(oxolan-3-ylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is BOQQFVNIKSIKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-11-3-1-2-10-12-9(13-14(10)11)6-8-4-5-16-7-8/h1-3,8H,4-7H2,(H,12,13).
What are the key properties of 2-(oxolan-3-ylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-(oxolan-3-ylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 219.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 117131385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).