4-piperazin-1-ylpyridazine-3-carboxylic acid

C9H12N4O2 — CID 69383055

IUPAC4-piperazin-1-ylpyridazine-3-carboxylic acid
SMILESO=C(O)c1nnccc1N1CCNCC1
InChIInChI=1S/C9H12N4O2/c14-9(15)8-7(1-2-11-12-8)13-5-3-10-4-6-13/h1-2,10H,3-6H2,(H,14,15)
InChIKeyXKSQQEQZJYWHRQ-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.42
Rot. Bonds2

About 4-piperazin-1-ylpyridazine-3-carboxylic acid

4-piperazin-1-ylpyridazine-3-carboxylic acid (PubChem CID 69383055) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-piperazin-1-ylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-piperazin-1-ylpyridazine-3-carboxylic acid
PubChem CID69383055
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-piperazin-1-ylpyridazine-3-carboxylic acid
SMILESO=C(O)c1nnccc1N1CCNCC1
InChIInChI=1S/C9H12N4O2/c14-9(15)8-7(1-2-11-12-8)13-5-3-10-4-6-13/h1-2,10H,3-6H2,(H,14,15)
InChIKeyXKSQQEQZJYWHRQ-UHFFFAOYSA-N
XLogP-0.42
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Lithium(1+) 5-(methylamino)pyridazine-3-carboxylate
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4-Aminopyridazine-3-carboxylic acid
CID 6402483
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CID 151578022
4-(4-Fluoroanilino)pyridazine-3-carboxylic acid
CID 155250939
4-[(4-Fluorophenyl)methylamino]pyridazine-3-carboxylate
CID 162446656
2-Fluoro-5-pyrrolidin-1-ylpyridazin-2-ium-3-carboxylic acid
CID 176815585
4-(4,5-Dihydroimidazol-1-yl)pyridazine-3-carboxylic acid
CID 22075924
chloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine
CID 69090381
5-Anilinotriazine-4-carboxylic acid
CID 70523578
5-(4-(tert-Butoxycarbonyl)piperazin-1-yl)pyridazine-3-carboxylic acid
CID 127255816
6-Chloro-4-(cyclobutylamino)pyridazine-3-carboxylic acid
CID 129276257
Butyl 4-(ethylamino)pyridazine-3-carboxylate
CID 140977218

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylpyridazine-3-carboxylic acid?
The IUPAC name of 4-piperazin-1-ylpyridazine-3-carboxylic acid (CID 69383055) is 4-piperazin-1-ylpyridazine-3-carboxylic acid.
What is the SMILES notation for 4-piperazin-1-ylpyridazine-3-carboxylic acid?
The canonical SMILES for 4-piperazin-1-ylpyridazine-3-carboxylic acid is O=C(O)c1nnccc1N1CCNCC1.
What is the InChIKey of 4-piperazin-1-ylpyridazine-3-carboxylic acid?
The InChIKey is XKSQQEQZJYWHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-9(15)8-7(1-2-11-12-8)13-5-3-10-4-6-13/h1-2,10H,3-6H2,(H,14,15).
What are the key properties of 4-piperazin-1-ylpyridazine-3-carboxylic acid?
4-piperazin-1-ylpyridazine-3-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylpyridazine-3-carboxylic acid is sourced from PubChem (CID 69383055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).