3-(tetrazolo[1,5-a]pyrazin-5-yloxy)-1-oxa-8-azaspiro[4.5]decane

C12H16N6O2 — CID 102930442

IUPAC3-(tetrazolo[1,5-a]pyrazin-5-yloxy)-1-oxa-8-azaspiro[4.5]decane
SMILESc1ncc2nnnn2c1OC1COC2(CCNCC2)C1
InChIInChI=1S/C12H16N6O2/c1-3-13-4-2-12(1)5-9(8-19-12)20-11-7-14-6-10-15-16-17-18(10)11/h6-7,9,13H,1-5,8H2
InChIKeyOLPKEMXWMMWWQO-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.19
Rot. Bonds2

About 3-(tetrazolo[1,5-a]pyrazin-5-yloxy)-1-oxa-8-azaspiro[4.5]decane

3-(tetrazolo[1,5-a]pyrazin-5-yloxy)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930442) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(tetrazolo[1,5-a]pyrazin-5-yloxy)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(tetrazolo[1,5-a]pyrazin-5-yloxy)-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930442
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name3-(tetrazolo[1,5-a]pyrazin-5-yloxy)-1-oxa-8-azaspiro[4.5]decane
SMILESc1ncc2nnnn2c1OC1COC2(CCNCC2)C1
InChIInChI=1S/C12H16N6O2/c1-3-13-4-2-12(1)5-9(8-19-12)20-11-7-14-6-10-15-16-17-18(10)11/h6-7,9,13H,1-5,8H2
InChIKeyOLPKEMXWMMWWQO-UHFFFAOYSA-N
XLogP-0.19
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1-methyltetrazol-5-yl)oxy-1-oxa-8-azaspiro[4.5]decane
CID 102930419
3-imidazo[1,2-a]pyridin-5-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 102930507
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930602
5-piperazin-1-yltetrazolo[1,5-a]pyrazine;dihydrochloride
CID 146049763
(3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane
CID 124938709
6-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-2-carboxamide
CID 102930635
3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 102930556
6-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-3-carbonitrile
CID 102930474
(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97486909
3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930435
3-[(6-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930458
3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930543

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazolo[1,5-a]pyrazin-5-yloxy)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(tetrazolo[1,5-a]pyrazin-5-yloxy)-1-oxa-8-azaspiro[4.5]decane (CID 102930442) is 3-(tetrazolo[1,5-a]pyrazin-5-yloxy)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(tetrazolo[1,5-a]pyrazin-5-yloxy)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(tetrazolo[1,5-a]pyrazin-5-yloxy)-1-oxa-8-azaspiro[4.5]decane is c1ncc2nnnn2c1OC1COC2(CCNCC2)C1.
What is the InChIKey of 3-(tetrazolo[1,5-a]pyrazin-5-yloxy)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is OLPKEMXWMMWWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-3-13-4-2-12(1)5-9(8-19-12)20-11-7-14-6-10-15-16-17-18(10)11/h6-7,9,13H,1-5,8H2.
What are the key properties of 3-(tetrazolo[1,5-a]pyrazin-5-yloxy)-1-oxa-8-azaspiro[4.5]decane?
3-(tetrazolo[1,5-a]pyrazin-5-yloxy)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 276.30 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazolo[1,5-a]pyrazin-5-yloxy)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).