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

C10H13ClN4O2 — CID 117102868

IUPAC3-chloro-6-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid
SMILESCN1CCN(c2cc(C(=O)O)c(Cl)nn2)CC1
InChIInChI=1S/C10H13ClN4O2/c1-14-2-4-15(5-3-14)8-6-7(10(16)17)9(11)13-12-8/h6H,2-5H2,1H3,(H,16,17)
InChIKeyXYCSUTKKQREILM-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.58
Rot. Bonds2

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

3-chloro-6-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid (PubChem CID 117102868) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-chloro-6-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid
PubChem CID117102868
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name3-chloro-6-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid
SMILESCN1CCN(c2cc(C(=O)O)c(Cl)nn2)CC1
InChIInChI=1S/C10H13ClN4O2/c1-14-2-4-15(5-3-14)8-6-7(10(16)17)9(11)13-12-8/h6H,2-5H2,1H3,(H,16,17)
InChIKeyXYCSUTKKQREILM-UHFFFAOYSA-N
XLogP0.58
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(4-methylpiperazin-1-yl)pyrazole-5-carboxylic acid
CID 83864193
4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 102545588
[6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyridazin-4-yl]-phenylmethanone
CID 58257827
6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 53016826
5-chloro-2-(4-methylpiperazin-1-yl)benzoic acid
CID 12784710
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
3,6-dichloro-4-(4-methylpiperazin-1-yl)pyridazine
CID 537742
N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116280
3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid
CID 117102938
N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116216
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
(E)-3-(4-chlorophenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 122336477

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid?
The IUPAC name of 3-chloro-6-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid (CID 117102868) is 3-chloro-6-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-chloro-6-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid is CN1CCN(c2cc(C(=O)O)c(Cl)nn2)CC1.
What is the InChIKey of 3-chloro-6-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid?
The InChIKey is XYCSUTKKQREILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-14-2-4-15(5-3-14)8-6-7(10(16)17)9(11)13-12-8/h6H,2-5H2,1H3,(H,16,17).
What are the key properties of 3-chloro-6-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid?
3-chloro-6-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid has a molecular weight of 256.69 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 117102868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).