6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid

C12H17N3O2 — CID 93324573

IUPAC6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid
SMILESC[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)O)nn2)C1
InChIInChI=1S/C12H17N3O2/c1-8-5-9(2)7-15(6-8)11-4-3-10(12(16)17)13-14-11/h3-4,8-9H,5-7H2,1-2H3,(H,16,17)/t8-,9-/m1/s1
InChIKeyPDIBPLKEYRMGFL-RKDXNWHRSA-N
MW235.29 g/mol
LogP1.66
Rot. Bonds2

About 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid

6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid (PubChem CID 93324573) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid
PubChem CID93324573
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid
SMILESC[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)O)nn2)C1
InChIInChI=1S/C12H17N3O2/c1-8-5-9(2)7-15(6-8)11-4-3-10(12(16)17)13-14-11/h3-4,8-9H,5-7H2,1-2H3,(H,16,17)/t8-,9-/m1/s1
InChIKeyPDIBPLKEYRMGFL-RKDXNWHRSA-N
XLogP1.66
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 114537374
6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133313211
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate
CID 129498668
6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 62254825
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-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
CID 103534319
6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid
CID 131162753
3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine
CID 129258348
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61435325

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid (CID 93324573) is 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid is C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)O)nn2)C1.
What is the InChIKey of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid?
The InChIKey is PDIBPLKEYRMGFL-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-5-9(2)7-15(6-8)11-4-3-10(12(16)17)13-14-11/h3-4,8-9H,5-7H2,1-2H3,(H,16,17)/t8-,9-/m1/s1.
What are the key properties of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid?
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 93324573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).