6-piperazin-1-ylpyridazine-3-carboxylic acid;hydrochloride

C9H13ClN4O2 — CID 122163377

IUPAC6-piperazin-1-ylpyridazine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(N2CCNCC2)nn1
InChIInChI=1S/C9H12N4O2.ClH/c14-9(15)7-1-2-8(12-11-7)13-5-3-10-4-6-13;/h1-2,10H,3-6H2,(H,14,15);1H
InChIKeyHXZPGHJUMJIDCC-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.01
Rot. Bonds2

About 6-piperazin-1-ylpyridazine-3-carboxylic acid;hydrochloride

6-piperazin-1-ylpyridazine-3-carboxylic acid;hydrochloride (PubChem CID 122163377) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 6-piperazin-1-ylpyridazine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-piperazin-1-ylpyridazine-3-carboxylic acid;hydrochloride
PubChem CID122163377
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name6-piperazin-1-ylpyridazine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(N2CCNCC2)nn1
InChIInChI=1S/C9H12N4O2.ClH/c14-9(15)7-1-2-8(12-11-7)13-5-3-10-4-6-13;/h1-2,10H,3-6H2,(H,14,15);1H
InChIKeyHXZPGHJUMJIDCC-UHFFFAOYSA-N
XLogP0.01
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-piperazin-1-ylpyridazine-3-carboxylic acid;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 6-piperazin-1-ylpyridazine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-piperazin-1-ylpyridazine-3-carboxylic acid;hydrochloride (CID 122163377) is 6-piperazin-1-ylpyridazine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-piperazin-1-ylpyridazine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-piperazin-1-ylpyridazine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc(N2CCNCC2)nn1.
What is the InChIKey of 6-piperazin-1-ylpyridazine-3-carboxylic acid;hydrochloride?
The InChIKey is HXZPGHJUMJIDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2.ClH/c14-9(15)7-1-2-8(12-11-7)13-5-3-10-4-6-13;/h1-2,10H,3-6H2,(H,14,15);1H.
What are the key properties of 6-piperazin-1-ylpyridazine-3-carboxylic acid;hydrochloride?
6-piperazin-1-ylpyridazine-3-carboxylic acid;hydrochloride has a molecular weight of 244.68 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-ylpyridazine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 122163377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).