7-[1-(1-methylcyclobutyl)tetrazol-5-yl]-2-oxa-7-azaspiro[4.4]nonane

C13H21N5O — CID 138054076

IUPAC7-[1-(1-methylcyclobutyl)tetrazol-5-yl]-2-oxa-7-azaspiro[4.4]nonane
SMILESCC1(n2nnnc2N2CCC3(CCOC3)C2)CCC1
InChIInChI=1S/C13H21N5O/c1-12(3-2-4-12)18-11(14-15-16-18)17-7-5-13(9-17)6-8-19-10-13/h2-10H2,1H3
InChIKeyMRCFNUAWFQZSNI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.19
Rot. Bonds2

About 7-[1-(1-methylcyclobutyl)tetrazol-5-yl]-2-oxa-7-azaspiro[4.4]nonane

7-[1-(1-methylcyclobutyl)tetrazol-5-yl]-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 138054076) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 7-[1-(1-methylcyclobutyl)tetrazol-5-yl]-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[1-(1-methylcyclobutyl)tetrazol-5-yl]-2-oxa-7-azaspiro[4.4]nonane
PubChem CID138054076
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name7-[1-(1-methylcyclobutyl)tetrazol-5-yl]-2-oxa-7-azaspiro[4.4]nonane
SMILESCC1(n2nnnc2N2CCC3(CCOC3)C2)CCC1
InChIInChI=1S/C13H21N5O/c1-12(3-2-4-12)18-11(14-15-16-18)17-7-5-13(9-17)6-8-19-10-13/h2-10H2,1H3
InChIKeyMRCFNUAWFQZSNI-UHFFFAOYSA-N
XLogP1.19
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(1-methylcyclobutyl)tetrazol-5-yl]-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-[1-(1-methylcyclobutyl)tetrazol-5-yl]-2-oxa-7-azaspiro[4.4]nonane (CID 138054076) is 7-[1-(1-methylcyclobutyl)tetrazol-5-yl]-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-[1-(1-methylcyclobutyl)tetrazol-5-yl]-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-[1-(1-methylcyclobutyl)tetrazol-5-yl]-2-oxa-7-azaspiro[4.4]nonane is CC1(n2nnnc2N2CCC3(CCOC3)C2)CCC1.
What is the InChIKey of 7-[1-(1-methylcyclobutyl)tetrazol-5-yl]-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is MRCFNUAWFQZSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-12(3-2-4-12)18-11(14-15-16-18)17-7-5-13(9-17)6-8-19-10-13/h2-10H2,1H3.
What are the key properties of 7-[1-(1-methylcyclobutyl)tetrazol-5-yl]-2-oxa-7-azaspiro[4.4]nonane?
7-[1-(1-methylcyclobutyl)tetrazol-5-yl]-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 263.34 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(1-methylcyclobutyl)tetrazol-5-yl]-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 138054076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).