3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid

C12H17N3O2 — CID 80517843

IUPAC3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid
SMILESCC1CCCCC1Nc1nnccc1C(=O)O
InChIInChI=1S/C12H17N3O2/c1-8-4-2-3-5-10(8)14-11-9(12(16)17)6-7-13-15-11/h6-8,10H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyQDTMKIPPJNKMAW-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.17
Rot. Bonds3

About 3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid

3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid (PubChem CID 80517843) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid
PubChem CID80517843
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid
SMILESCC1CCCCC1Nc1nnccc1C(=O)O
InChIInChI=1S/C12H17N3O2/c1-8-4-2-3-5-10(8)14-11-9(12(16)17)6-7-13-15-11/h6-8,10H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyQDTMKIPPJNKMAW-UHFFFAOYSA-N
XLogP2.17
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid
CID 114179237
3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid
CID 80517643
3-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridazine-4-carboxylic acid
CID 80517876
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
CID 60722333
3-[(2,3-dimethylcyclohexyl)amino]pyridazine-4-carbothioamide
CID 80510774
3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid
CID 124512624
3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid
CID 80517888
3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
CID 80517570
3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80516623
N-(2-methylcyclohexyl)pyridazin-3-amine
CID 62481216
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 63511863
2-amino-3-[(2-methylcyclohexyl)amino]benzoic acid
CID 113332467

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid (CID 80517843) is 3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid is CC1CCCCC1Nc1nnccc1C(=O)O.
What is the InChIKey of 3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid?
The InChIKey is QDTMKIPPJNKMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-4-2-3-5-10(8)14-11-9(12(16)17)6-7-13-15-11/h6-8,10H,2-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid?
3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).