1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride

C10H15ClN4O4S — CID 71638752

IUPAC1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCNCC2C(=O)O)nn1.Cl
InChIInChI=1S/C10H14N4O4S.ClH/c1-7-2-3-9(13-12-7)19(17,18)14-5-4-11-6-8(14)10(15)16;/h2-3,8,11H,4-6H2,1H3,(H,15,16);1H
InChIKeyDMMUJOPETBRWCW-UHFFFAOYSA-N
MW322.77 g/mol
LogP-0.75
Rot. Bonds3

About 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride

1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride (PubChem CID 71638752) has the molecular formula C10H15ClN4O4S and a molecular weight of 322.77 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
PubChem CID71638752
Molecular FormulaC10H15ClN4O4S
Molecular Weight322.77 g/mol
Exact Mass322.05
IUPAC Name1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCNCC2C(=O)O)nn1.Cl
InChIInChI=1S/C10H14N4O4S.ClH/c1-7-2-3-9(13-12-7)19(17,18)14-5-4-11-6-8(14)10(15)16;/h2-3,8,11H,4-6H2,1H3,(H,15,16);1H
InChIKeyDMMUJOPETBRWCW-UHFFFAOYSA-N
XLogP-0.75
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-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 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride (CID 71638752) is 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride is Cc1ccc(S(=O)(=O)N2CCNCC2C(=O)O)nn1.Cl.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride?
The InChIKey is DMMUJOPETBRWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S.ClH/c1-7-2-3-9(13-12-7)19(17,18)14-5-4-11-6-8(14)10(15)16;/h2-3,8,11H,4-6H2,1H3,(H,15,16);1H.
What are the key properties of 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride?
1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride has a molecular weight of 322.77 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 71638752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).