3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid

C12H16ClN3O2 — CID 117102894

IUPAC3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cc(NCC2CCCCC2)nnc1Cl
InChIInChI=1S/C12H16ClN3O2/c13-11-9(12(17)18)6-10(15-16-11)14-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,14,15)(H,17,18)
InChIKeyDZQYVAXOEHSDFZ-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.82
Rot. Bonds4

About 3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid

3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid (PubChem CID 117102894) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid
PubChem CID117102894
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cc(NCC2CCCCC2)nnc1Cl
InChIInChI=1S/C12H16ClN3O2/c13-11-9(12(17)18)6-10(15-16-11)14-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,14,15)(H,17,18)
InChIKeyDZQYVAXOEHSDFZ-UHFFFAOYSA-N
XLogP2.82
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylmethylamino)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 117103087
2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid
CID 70874089
methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate
CID 54918952
3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
CID 80517570
4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid
CID 91243111
4-(cyclohexylmethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709782
6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine
CID 91536558
N-(cyclohexylmethyl)-5-methylpyridazin-3-amine
CID 106549505
4-(cyclohexylmethylamino)benzoic acid
CID 13273360
N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine
CID 73349510
6-(cyclohexylmethylamino)pyridazine-3-carbonitrile
CID 163350091
2-[(3-hydroxycyclohexyl)methylamino]-5-nitropyridine-4-carboxylic acid
CID 106136562

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid (CID 117102894) is 3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid is O=C(O)c1cc(NCC2CCCCC2)nnc1Cl.
What is the InChIKey of 3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid?
The InChIKey is DZQYVAXOEHSDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-11-9(12(17)18)6-10(15-16-11)14-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,14,15)(H,17,18).
What are the key properties of 3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid?
3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid has a molecular weight of 269.73 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 117102894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).