3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride

C9H16ClN5 — CID 19610916

IUPAC3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCCc1nnn(C2CN3CCC2C3)n1.Cl
InChIInChI=1S/C9H15N5.ClH/c1-2-9-10-12-14(11-9)8-6-13-4-3-7(8)5-13;/h7-8H,2-6H2,1H3;1H
InChIKeyHTHFREGGMYBKQF-UHFFFAOYSA-N
MW229.71 g/mol
LogP0.53
Rot. Bonds2

About 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride

3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride (PubChem CID 19610916) has the molecular formula C9H16ClN5 and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride.

Molecular Properties

Compound Name3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
PubChem CID19610916
Molecular FormulaC9H16ClN5
Molecular Weight229.71 g/mol
Exact Mass229.11
IUPAC Name3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCCc1nnn(C2CN3CCC2C3)n1.Cl
InChIInChI=1S/C9H15N5.ClH/c1-2-9-10-12-14(11-9)8-6-13-4-3-7(8)5-13;/h7-8H,2-6H2,1H3;1H
InChIKeyHTHFREGGMYBKQF-UHFFFAOYSA-N
XLogP0.53
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride 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-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
The IUPAC name of 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride (CID 19610916) is 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride.
What is the SMILES notation for 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
The canonical SMILES for 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride is CCc1nnn(C2CN3CCC2C3)n1.Cl.
What is the InChIKey of 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
The InChIKey is HTHFREGGMYBKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5.ClH/c1-2-9-10-12-14(11-9)8-6-13-4-3-7(8)5-13;/h7-8H,2-6H2,1H3;1H.
What are the key properties of 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride is sourced from PubChem (CID 19610916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).