methyl 6-[2-(methylamino)cyclohexyl]oxypyridazine-3-carboxylate

C13H19N3O3 — CID 102634676

IUPACmethyl 6-[2-(methylamino)cyclohexyl]oxypyridazine-3-carboxylate
SMILESCNC1CCCCC1Oc1ccc(C(=O)OC)nn1
InChIInChI=1S/C13H19N3O3/c1-14-9-5-3-4-6-11(9)19-12-8-7-10(15-16-12)13(17)18-2/h7-9,11,14H,3-6H2,1-2H3
InChIKeyMSNOLQSQZWYIBJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.17
Rot. Bonds4

About methyl 6-[2-(methylamino)cyclohexyl]oxypyridazine-3-carboxylate

methyl 6-[2-(methylamino)cyclohexyl]oxypyridazine-3-carboxylate (PubChem CID 102634676) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 6-[2-(methylamino)cyclohexyl]oxypyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(methylamino)cyclohexyl]oxypyridazine-3-carboxylate
PubChem CID102634676
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 6-[2-(methylamino)cyclohexyl]oxypyridazine-3-carboxylate
SMILESCNC1CCCCC1Oc1ccc(C(=O)OC)nn1
InChIInChI=1S/C13H19N3O3/c1-14-9-5-3-4-6-11(9)19-12-8-7-10(15-16-12)13(17)18-2/h7-9,11,14H,3-6H2,1-2H3
InChIKeyMSNOLQSQZWYIBJ-UHFFFAOYSA-N
XLogP1.17
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate
CID 113395497
methyl 6-(4-methylpiperidin-3-yl)oxypyridazine-3-carboxylate
CID 102954453
methyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate
CID 63104615
2-[(6-methoxy-2-pyridinyl)oxy]-N-methylcyclohexan-1-amine
CID 102634392
methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate
CID 106362330
6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide
CID 90509274
N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine
CID 102634472
methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate
CID 54918952
methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
N-cycloheptyl-6-methoxypyridazine-3-carboxamide
CID 90509309
methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate
CID 75377047

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(methylamino)cyclohexyl]oxypyridazine-3-carboxylate?
The IUPAC name of methyl 6-[2-(methylamino)cyclohexyl]oxypyridazine-3-carboxylate (CID 102634676) is methyl 6-[2-(methylamino)cyclohexyl]oxypyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(methylamino)cyclohexyl]oxypyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(methylamino)cyclohexyl]oxypyridazine-3-carboxylate is CNC1CCCCC1Oc1ccc(C(=O)OC)nn1.
What is the InChIKey of methyl 6-[2-(methylamino)cyclohexyl]oxypyridazine-3-carboxylate?
The InChIKey is MSNOLQSQZWYIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-14-9-5-3-4-6-11(9)19-12-8-7-10(15-16-12)13(17)18-2/h7-9,11,14H,3-6H2,1-2H3.
What are the key properties of methyl 6-[2-(methylamino)cyclohexyl]oxypyridazine-3-carboxylate?
methyl 6-[2-(methylamino)cyclohexyl]oxypyridazine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(methylamino)cyclohexyl]oxypyridazine-3-carboxylate is sourced from PubChem (CID 102634676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).