2-oxa-6-azaspiro[4.5]decan-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

C14H17N5O2 — CID 138009678

IUPAC2-oxa-6-azaspiro[4.5]decan-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESO=C(c1nc2ncccn2n1)N1CCCCC12CCOC2
InChIInChI=1S/C14H17N5O2/c20-12(11-16-13-15-6-3-8-19(13)17-11)18-7-2-1-4-14(18)5-9-21-10-14/h3,6,8H,1-2,4-5,7,9-10H2
InChIKeyHIINCALHUPJDDS-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.91
Rot. Bonds1

About 2-oxa-6-azaspiro[4.5]decan-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

2-oxa-6-azaspiro[4.5]decan-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 138009678) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-oxa-6-azaspiro[4.5]decan-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name2-oxa-6-azaspiro[4.5]decan-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID138009678
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-oxa-6-azaspiro[4.5]decan-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESO=C(c1nc2ncccn2n1)N1CCCCC12CCOC2
InChIInChI=1S/C14H17N5O2/c20-12(11-16-13-15-6-3-8-19(13)17-11)18-7-2-1-4-14(18)5-9-21-10-14/h3,6,8H,1-2,4-5,7,9-10H2
InChIKeyHIINCALHUPJDDS-UHFFFAOYSA-N
XLogP0.91
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-6-azaspiro[4.5]decan-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of 2-oxa-6-azaspiro[4.5]decan-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (CID 138009678) is 2-oxa-6-azaspiro[4.5]decan-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for 2-oxa-6-azaspiro[4.5]decan-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for 2-oxa-6-azaspiro[4.5]decan-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is O=C(c1nc2ncccn2n1)N1CCCCC12CCOC2.
What is the InChIKey of 2-oxa-6-azaspiro[4.5]decan-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is HIINCALHUPJDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-12(11-16-13-15-6-3-8-19(13)17-11)18-7-2-1-4-14(18)5-9-21-10-14/h3,6,8H,1-2,4-5,7,9-10H2.
What are the key properties of 2-oxa-6-azaspiro[4.5]decan-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
2-oxa-6-azaspiro[4.5]decan-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 287.32 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-6-azaspiro[4.5]decan-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 138009678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).