6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid

C14H18N4O3 — CID 66849323

IUPAC6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid
SMILESCC1CC1C(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1
InChIInChI=1S/C14H18N4O3/c1-9-8-10(9)13(19)18-6-4-17(5-7-18)12-3-2-11(14(20)21)15-16-12/h2-3,9-10H,4-8H2,1H3,(H,20,21)
InChIKeyZSBSUYYHVRZURN-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.48
Rot. Bonds3

About 6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid

6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid (PubChem CID 66849323) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid
PubChem CID66849323
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid
SMILESCC1CC1C(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1
InChIInChI=1S/C14H18N4O3/c1-9-8-10(9)13(19)18-6-4-17(5-7-18)12-3-2-11(14(20)21)15-16-12/h2-3,9-10H,4-8H2,1H3,(H,20,21)
InChIKeyZSBSUYYHVRZURN-UHFFFAOYSA-N
XLogP0.48
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid
CID 93324573
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 63004045
6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 114537374
[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 97006519
6-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]pyridazine-3-carboxylic acid
CID 138386441
6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 167803035
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
[4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 97044596
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66849794

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid (CID 66849323) is 6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid is CC1CC1C(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1.
What is the InChIKey of 6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid?
The InChIKey is ZSBSUYYHVRZURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-8-10(9)13(19)18-6-4-17(5-7-18)12-3-2-11(14(20)21)15-16-12/h2-3,9-10H,4-8H2,1H3,(H,20,21).
What are the key properties of 6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid?
6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 66849323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).