methyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate

C12H17N3O3 — CID 113395497

IUPACmethyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(OC2CCCCC2N)nn1
InChIInChI=1S/C12H17N3O3/c1-17-12(16)9-6-7-11(15-14-9)18-10-5-3-2-4-8(10)13/h6-8,10H,2-5,13H2,1H3
InChIKeyICONCZHQZCIKKH-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.91
Rot. Bonds3

About methyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate

methyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate (PubChem CID 113395497) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate
PubChem CID113395497
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(OC2CCCCC2N)nn1
InChIInChI=1S/C12H17N3O3/c1-17-12(16)9-6-7-11(15-14-9)18-10-5-3-2-4-8(10)13/h6-8,10H,2-5,13H2,1H3
InChIKeyICONCZHQZCIKKH-UHFFFAOYSA-N
XLogP0.91
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate (CID 113395497) is methyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate is COC(=O)c1ccc(OC2CCCCC2N)nn1.
What is the InChIKey of methyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate?
The InChIKey is ICONCZHQZCIKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-12(16)9-6-7-11(15-14-9)18-10-5-3-2-4-8(10)13/h6-8,10H,2-5,13H2,1H3.
What are the key properties of methyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate?
methyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-aminocyclohexyl)oxypyridazine-3-carboxylate is sourced from PubChem (CID 113395497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).