1-(6-azaspiro[2.5]octan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone

C11H17N5O — CID 107062061

IUPAC1-(6-azaspiro[2.5]octan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CC23CCNCC3)n1
InChIInChI=1S/C11H17N5O/c1-16-14-10(13-15-16)6-9(17)8-7-11(8)2-4-12-5-3-11/h8,12H,2-7H2,1H3
InChIKeyJHOFMXAVCIHDTH-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.29
Rot. Bonds3

About 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(6-azaspiro[2.5]octan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107062061) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107062061
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-(6-azaspiro[2.5]octan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CC23CCNCC3)n1
InChIInChI=1S/C11H17N5O/c1-16-14-10(13-15-16)6-9(17)8-7-11(8)2-4-12-5-3-11/h8,12H,2-7H2,1H3
InChIKeyJHOFMXAVCIHDTH-UHFFFAOYSA-N
XLogP-0.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107062061) is 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2CC23CCNCC3)n1.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is JHOFMXAVCIHDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-16-14-10(13-15-16)6-9(17)8-7-11(8)2-4-12-5-3-11/h8,12H,2-7H2,1H3.
What are the key properties of 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(6-azaspiro[2.5]octan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 235.29 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107062061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).