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

C7H12ClN5 — CID 19610931

IUPAC3-(tetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCl.c1nnn(C2CN3CCC2C3)n1
InChIInChI=1S/C7H11N5.ClH/c1-2-11-3-6(1)7(4-11)12-9-5-8-10-12;/h5-7H,1-4H2;1H
InChIKeyMZQYJQJVZDWDLR-UHFFFAOYSA-N
MW201.66 g/mol
LogP-0.03
Rot. Bonds1

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

3-(tetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride (PubChem CID 19610931) has the molecular formula C7H12ClN5 and a molecular weight of 201.66 g/mol. Its IUPAC name is 3-(tetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride.

Molecular Properties

Compound Name3-(tetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
PubChem CID19610931
Molecular FormulaC7H12ClN5
Molecular Weight201.66 g/mol
Exact Mass201.08
IUPAC Name3-(tetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCl.c1nnn(C2CN3CCC2C3)n1
InChIInChI=1S/C7H11N5.ClH/c1-2-11-3-6(1)7(4-11)12-9-5-8-10-12;/h5-7H,1-4H2;1H
InChIKeyMZQYJQJVZDWDLR-UHFFFAOYSA-N
XLogP-0.03
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(tetrazol-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

Related Compounds

3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
CID 19610961
(3R,4R)-3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane
CID 58732567
3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19610924
3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.2]octane;hydrochloride
CID 19610889
3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane
CID 15669977
(4S)-3-(4-ethylpyrazol-1-yl)-1-azabicyclo[2.2.1]heptane
CID 84663558
[2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine
CID 115019182
1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride
CID 105429240
5-(tetrazol-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 89410034
3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19784182
(3S,4R)-3-tert-butyl-1-azabicyclo[2.2.1]heptane
CID 66827257
1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride
CID 141361926

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
The IUPAC name of 3-(tetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride (CID 19610931) is 3-(tetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride.
What is the SMILES notation for 3-(tetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
The canonical SMILES for 3-(tetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride is Cl.c1nnn(C2CN3CCC2C3)n1.
What is the InChIKey of 3-(tetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
The InChIKey is MZQYJQJVZDWDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5.ClH/c1-2-11-3-6(1)7(4-11)12-9-5-8-10-12;/h5-7H,1-4H2;1H.
What are the key properties of 3-(tetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
3-(tetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride has a molecular weight of 201.66 g/mol, XLogP of -0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride is sourced from PubChem (CID 19610931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).