(3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride

C7H13ClN4 — CID 170900819

IUPAC(3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride
SMILESCl.c1n[nH]nc1[C@@H]1CCCNC1
InChIInChI=1S/C7H12N4.ClH/c1-2-6(4-8-3-1)7-5-9-11-10-7;/h5-6,8H,1-4H2,(H,9,10,11);1H/t6-;/m1./s1
InChIKeyPRLLNSYGIAHNIA-FYZOBXCZSA-N
MW188.66 g/mol
LogP0.69
Rot. Bonds1

About (3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride

(3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride (PubChem CID 170900819) has the molecular formula C7H13ClN4 and a molecular weight of 188.66 g/mol. Its IUPAC name is (3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride
PubChem CID170900819
Molecular FormulaC7H13ClN4
Molecular Weight188.66 g/mol
Exact Mass188.08
IUPAC Name(3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride
SMILESCl.c1n[nH]nc1[C@@H]1CCCNC1
InChIInChI=1S/C7H12N4.ClH/c1-2-6(4-8-3-1)7-5-9-11-10-7;/h5-6,8H,1-4H2,(H,9,10,11);1H/t6-;/m1./s1
InChIKeyPRLLNSYGIAHNIA-FYZOBXCZSA-N
XLogP0.69
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(2H-triazol-4-yl)piperidine;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

4-pyrrolidin-3-yl-2H-triazole
CID 54238328
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606
3-(2-ethyltriazol-4-yl)piperidine
CID 10012528
2-bromo-6-piperidin-3-ylpyridine;dihydrochloride
CID 170905464
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614
4-[(3R)-piperidin-3-yl]thiadiazole
CID 92567768
2,4-di(piperidin-3-yl)-1,3-oxazole
CID 115040991
4-piperidin-3-yl-1,3-thiazole;hydrobromide
CID 118295102
3-(2H-tetrazol-5-yl)piperidine
CID 10374637
2-benzyl-6-[(3R)-piperidin-3-yl]pyridine
CID 95808751
4-chloro-5-piperidin-3-yl-1,2-thiazole
CID 84671186
N-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine
CID 95846721

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride?
The IUPAC name of (3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride (CID 170900819) is (3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride.
What is the SMILES notation for (3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride?
The canonical SMILES for (3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride is Cl.c1n[nH]nc1[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride?
The InChIKey is PRLLNSYGIAHNIA-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H12N4.ClH/c1-2-6(4-8-3-1)7-5-9-11-10-7;/h5-6,8H,1-4H2,(H,9,10,11);1H/t6-;/m1./s1.
What are the key properties of (3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride?
(3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride has a molecular weight of 188.66 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride is sourced from PubChem (CID 170900819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).