8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane

C13H18N6O2 — CID 7584336

IUPAC8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCn1nnc2c(N3CCC4(CC3)OCCO4)ncnc21
InChIInChI=1S/C13H18N6O2/c1-2-19-12-10(16-17-19)11(14-9-15-12)18-5-3-13(4-6-18)20-7-8-21-13/h9H,2-8H2,1H3
InChIKeyYMKZYBHEBSMYNO-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.58
Rot. Bonds2

About 8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 7584336) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID7584336
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCn1nnc2c(N3CCC4(CC3)OCCO4)ncnc21
InChIInChI=1S/C13H18N6O2/c1-2-19-12-10(16-17-19)11(14-9-15-12)18-5-3-13(4-6-18)20-7-8-21-13/h9H,2-8H2,1H3
InChIKeyYMKZYBHEBSMYNO-UHFFFAOYSA-N
XLogP0.58
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

7-(azepan-1-yl)-3-ethyltriazolo[4,5-d]pyrimidine
CID 7584315
3-ethyl-7-(4-ethylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
CID 7584344
3-ethyl-7-[(2S)-2-methylpiperidin-1-yl]triazolo[4,5-d]pyrimidine
CID 7584319
3-butyl-7-(3,3,4,4-tetrafluoropyrrolidin-1-yl)triazolo[4,5-d]pyrimidine
CID 151928924
3-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 167821576
1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-propan-2-ylazetidine-3-carboxamide
CID 72717262
3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
CID 7424099
8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 175651458
N-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557810
3-benzyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
CID 1446155
CID 70338598
CID 70338598
8-(3-bromo-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 67246417

Frequently Asked Questions

What is the IUPAC name of 8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 7584336) is 8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane is CCn1nnc2c(N3CCC4(CC3)OCCO4)ncnc21.
What is the InChIKey of 8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is YMKZYBHEBSMYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-2-19-12-10(16-17-19)11(14-9-15-12)18-5-3-13(4-6-18)20-7-8-21-13/h9H,2-8H2,1H3.
What are the key properties of 8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 290.33 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 7584336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).