6-(cyclooctylamino)pyridazine-3-carboxylic acid

C13H19N3O2 — CID 60792420

IUPAC6-(cyclooctylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC2CCCCCCC2)nn1
InChIInChI=1S/C13H19N3O2/c17-13(18)11-8-9-12(16-15-11)14-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H,14,16)(H,17,18)
InChIKeyWSKOZJNRWUEZIY-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.70
Rot. Bonds3

About 6-(cyclooctylamino)pyridazine-3-carboxylic acid

6-(cyclooctylamino)pyridazine-3-carboxylic acid (PubChem CID 60792420) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-(cyclooctylamino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(cyclooctylamino)pyridazine-3-carboxylic acid
PubChem CID60792420
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-(cyclooctylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC2CCCCCCC2)nn1
InChIInChI=1S/C13H19N3O2/c17-13(18)11-8-9-12(16-15-11)14-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H,14,16)(H,17,18)
InChIKeyWSKOZJNRWUEZIY-UHFFFAOYSA-N
XLogP2.70
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
6-(cycloheptylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110063
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
CID 109124960
[6-(cyclohexylamino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109112814
N-butan-2-yl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109111540
6-(cyclopentylamino)-N,N-diethylpyridazine-3-carboxamide
CID 109112142
6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121643
6-(cyclohexylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 109112883
N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide
CID 109119083
N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112186
6-(cyclopentylamino)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109112098

Frequently Asked Questions

What is the IUPAC name of 6-(cyclooctylamino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(cyclooctylamino)pyridazine-3-carboxylic acid (CID 60792420) is 6-(cyclooctylamino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(cyclooctylamino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(cyclooctylamino)pyridazine-3-carboxylic acid is O=C(O)c1ccc(NC2CCCCCCC2)nn1.
What is the InChIKey of 6-(cyclooctylamino)pyridazine-3-carboxylic acid?
The InChIKey is WSKOZJNRWUEZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13(18)11-8-9-12(16-15-11)14-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H,14,16)(H,17,18).
What are the key properties of 6-(cyclooctylamino)pyridazine-3-carboxylic acid?
6-(cyclooctylamino)pyridazine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclooctylamino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 60792420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).