3-methyl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane

C9H15N5 — CID 123394191

IUPAC3-methyl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane
SMILESCN1CC2CCC(C1)C2n1cnnn1
InChIInChI=1S/C9H15N5/c1-13-4-7-2-3-8(5-13)9(7)14-6-10-11-12-14/h6-9H,2-5H2,1H3
InChIKeyVNJPIOHWNMXHKY-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.19
Rot. Bonds1

About 3-methyl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane

3-methyl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane (PubChem CID 123394191) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-methyl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methyl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane
PubChem CID123394191
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name3-methyl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane
SMILESCN1CC2CCC(C1)C2n1cnnn1
InChIInChI=1S/C9H15N5/c1-13-4-7-2-3-8(5-13)9(7)14-6-10-11-12-14/h6-9H,2-5H2,1H3
InChIKeyVNJPIOHWNMXHKY-UHFFFAOYSA-N
XLogP0.19
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-methyl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane (CID 123394191) is 3-methyl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-methyl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-methyl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane is CN1CC2CCC(C1)C2n1cnnn1.
What is the InChIKey of 3-methyl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane?
The InChIKey is VNJPIOHWNMXHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-13-4-7-2-3-8(5-13)9(7)14-6-10-11-12-14/h6-9H,2-5H2,1H3.
What are the key properties of 3-methyl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane?
3-methyl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane has a molecular weight of 193.25 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(tetrazol-1-yl)-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 123394191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).