8-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane

C13H17N5O2 — CID 5303752

IUPAC8-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cc(N2CCC3(CC2)OCCO3)n2ncnc2n1
InChIInChI=1S/C13H17N5O2/c1-10-8-11(18-12(16-10)14-9-15-18)17-4-2-13(3-5-17)19-6-7-20-13/h8-9H,2-7H2,1H3
InChIKeyLJQIAPYOHBQBKL-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.78
Rot. Bonds1

About 8-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 5303752) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 8-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID5303752
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name8-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cc(N2CCC3(CC2)OCCO3)n2ncnc2n1
InChIInChI=1S/C13H17N5O2/c1-10-8-11(18-12(16-10)14-9-15-18)17-4-2-13(3-5-17)19-6-7-20-13/h8-9H,2-7H2,1H3
InChIKeyLJQIAPYOHBQBKL-UHFFFAOYSA-N
XLogP0.78
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 5303752) is 8-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane is Cc1cc(N2CCC3(CC2)OCCO3)n2ncnc2n1.
What is the InChIKey of 8-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is LJQIAPYOHBQBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-10-8-11(18-12(16-10)14-9-15-18)17-4-2-13(3-5-17)19-6-7-20-13/h8-9H,2-7H2,1H3.
What are the key properties of 8-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 275.31 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 5303752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).