6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid

C10H14N4O2 — CID 20982967

IUPAC6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid
SMILESCN1CCN(c2ccc(C(=O)O)nn2)CC1
InChIInChI=1S/C10H14N4O2/c1-13-4-6-14(7-5-13)9-3-2-8(10(15)16)11-12-9/h2-3H,4-7H2,1H3,(H,15,16)
InChIKeyLXAHUBJBPCRMHQ-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.07
Rot. Bonds2

About 6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid

6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid (PubChem CID 20982967) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid
PubChem CID20982967
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid
SMILESCN1CCN(c2ccc(C(=O)O)nn2)CC1
InChIInChI=1S/C10H14N4O2/c1-13-4-6-14(7-5-13)9-3-2-8(10(15)16)11-12-9/h2-3H,4-7H2,1H3,(H,15,16)
InChIKeyLXAHUBJBPCRMHQ-UHFFFAOYSA-N
XLogP-0.07
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid 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-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid (CID 20982967) is 6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid is CN1CCN(c2ccc(C(=O)O)nn2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid?
The InChIKey is LXAHUBJBPCRMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-13-4-6-14(7-5-13)9-3-2-8(10(15)16)11-12-9/h2-3H,4-7H2,1H3,(H,15,16).
What are the key properties of 6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid?
6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid has a molecular weight of 222.25 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 20982967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).