2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C16H21N3O2 — CID 102846362

IUPAC2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CC2CCC3(CCCCC3)O2)nc2ccccn12
InChIInChI=1S/C16H21N3O2/c20-15-18-11-5-2-6-14(18)17-19(15)12-13-7-10-16(21-13)8-3-1-4-9-16/h2,5-6,11,13H,1,3-4,7-10,12H2
InChIKeySWWGQYDQWOVGQY-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.38
Rot. Bonds2

About 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 102846362) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID102846362
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CC2CCC3(CCCCC3)O2)nc2ccccn12
InChIInChI=1S/C16H21N3O2/c20-15-18-11-5-2-6-14(18)17-19(15)12-13-7-10-16(21-13)8-3-1-4-9-16/h2,5-6,11,13H,1,3-4,7-10,12H2
InChIKeySWWGQYDQWOVGQY-UHFFFAOYSA-N
XLogP2.38
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115746883
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115619085
2-[2-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618642
3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one
CID 102897962
2-[3-(oxolan-2-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618657
2-(3,4-dihydro-1H-isochromen-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115629334
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine
CID 129486887
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole
CID 102901040
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47089137
2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115701777

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 102846362) is 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CC2CCC3(CCCCC3)O2)nc2ccccn12.
What is the InChIKey of 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is SWWGQYDQWOVGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15-18-11-5-2-6-14(18)17-19(15)12-13-7-10-16(21-13)8-3-1-4-9-16/h2,5-6,11,13H,1,3-4,7-10,12H2.
What are the key properties of 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 287.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 102846362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).