1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone

C12H19N5O — CID 107047441

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCN1C2CCC1CC(C(=O)Cc1nnn(C)n1)C2
InChIInChI=1S/C12H19N5O/c1-16-9-3-4-10(16)6-8(5-9)11(18)7-12-13-15-17(2)14-12/h8-10H,3-7H2,1-2H3
InChIKeyHGMSQSRTBZLBFF-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.19
Rot. Bonds3

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047441) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047441
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCN1C2CCC1CC(C(=O)Cc1nnn(C)n1)C2
InChIInChI=1S/C12H19N5O/c1-16-9-3-4-10(16)6-8(5-9)11(18)7-12-13-15-17(2)14-12/h8-10H,3-7H2,1-2H3
InChIKeyHGMSQSRTBZLBFF-UHFFFAOYSA-N
XLogP0.19
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107047441) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone is CN1C2CCC1CC(C(=O)Cc1nnn(C)n1)C2.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is HGMSQSRTBZLBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-16-9-3-4-10(16)6-8(5-9)11(18)7-12-13-15-17(2)14-12/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 249.32 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).