6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid

C12H18N4O2 — CID 114537374

IUPAC6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid
SMILESCC1CN(c2ccc(C(=O)O)nn2)CC(C)N1C
InChIInChI=1S/C12H18N4O2/c1-8-6-16(7-9(2)15(8)3)11-5-4-10(12(17)18)13-14-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)
InChIKeyHIJIZJQRNWAPBV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.70
Rot. Bonds2

About 6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid

6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid (PubChem CID 114537374) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid
PubChem CID114537374
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid
SMILESCC1CN(c2ccc(C(=O)O)nn2)CC(C)N1C
InChIInChI=1S/C12H18N4O2/c1-8-6-16(7-9(2)15(8)3)11-5-4-10(12(17)18)13-14-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)
InChIKeyHIJIZJQRNWAPBV-UHFFFAOYSA-N
XLogP0.70
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid
CID 93324573
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
CID 103534319
6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid
CID 131162753
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61435325
6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66849323
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 63004045
6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 167803035
6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid
CID 138002970
methyl 6-[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazine-3-carboxylate
CID 129497824
6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133313211

Frequently Asked Questions

What is the IUPAC name of 6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid (CID 114537374) is 6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid is CC1CN(c2ccc(C(=O)O)nn2)CC(C)N1C.
What is the InChIKey of 6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid?
The InChIKey is HIJIZJQRNWAPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-6-16(7-9(2)15(8)3)11-5-4-10(12(17)18)13-14-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid?
6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 114537374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).