6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid

C14H19N3O2 — CID 138002970

IUPAC6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid
SMILESCC1CCN(c2ccc(C(=O)O)nn2)CC12CCC2
InChIInChI=1S/C14H19N3O2/c1-10-5-8-17(9-14(10)6-2-7-14)12-4-3-11(13(18)19)15-16-12/h3-4,10H,2,5-9H2,1H3,(H,18,19)
InChIKeyBDCRFEGMNYNUAY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.19
Rot. Bonds2

About 6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid

6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid (PubChem CID 138002970) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid
PubChem CID138002970
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid
SMILESCC1CCN(c2ccc(C(=O)O)nn2)CC12CCC2
InChIInChI=1S/C14H19N3O2/c1-10-5-8-17(9-14(10)6-2-7-14)12-4-3-11(13(18)19)15-16-12/h3-4,10H,2,5-9H2,1H3,(H,18,19)
InChIKeyBDCRFEGMNYNUAY-UHFFFAOYSA-N
XLogP2.19
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
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-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 114537374
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid
CID 93324573
6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61435325
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109604
(8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol
CID 134595736
6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide
CID 176986123
2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053451
6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66849323

Frequently Asked Questions

What is the IUPAC name of 6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid (CID 138002970) is 6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid is CC1CCN(c2ccc(C(=O)O)nn2)CC12CCC2.
What is the InChIKey of 6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid?
The InChIKey is BDCRFEGMNYNUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-5-8-17(9-14(10)6-2-7-14)12-4-3-11(13(18)19)15-16-12/h3-4,10H,2,5-9H2,1H3,(H,18,19).
What are the key properties of 6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid?
6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 138002970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).