methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate

C13H19N3O2 — CID 54918952

IUPACmethyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2CCCCC2)nn1
InChIInChI=1S/C13H19N3O2/c1-18-13(17)11-7-8-12(16-15-11)14-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,14,16)
InChIKeyIBZFURRFKHWCMO-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.26
Rot. Bonds4

About methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate

methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate (PubChem CID 54918952) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate
PubChem CID54918952
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2CCCCC2)nn1
InChIInChI=1S/C13H19N3O2/c1-18-13(17)11-7-8-12(16-15-11)14-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,14,16)
InChIKeyIBZFURRFKHWCMO-UHFFFAOYSA-N
XLogP2.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
CID 113244113
methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
methyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate
CID 55142196
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate
CID 106362330
methyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate
CID 63823251
methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate
CID 103724936
methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058
methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
CID 60980581
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate
CID 107390127
6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide
CID 103715279
methyl 2-(cyclohexylmethylamino)benzoate
CID 43087805

Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate (CID 54918952) is methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate is COC(=O)c1ccc(NCC2CCCCC2)nn1.
What is the InChIKey of methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate?
The InChIKey is IBZFURRFKHWCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-13(17)11-7-8-12(16-15-11)14-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,14,16).
What are the key properties of methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate?
methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate is sourced from PubChem (CID 54918952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).