methyl 1-(cyclohexylmethyl)-6-oxopyridazine-3-carboxylate

C13H18N2O3 — CID 71999560

IUPACmethyl 1-(cyclohexylmethyl)-6-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC2CCCCC2)n1
InChIInChI=1S/C13H18N2O3/c1-18-13(17)11-7-8-12(16)15(14-11)9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3
InChIKeyWUZJXGUNOXOKDW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.61
Rot. Bonds3

About methyl 1-(cyclohexylmethyl)-6-oxopyridazine-3-carboxylate

methyl 1-(cyclohexylmethyl)-6-oxopyridazine-3-carboxylate (PubChem CID 71999560) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 1-(cyclohexylmethyl)-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclohexylmethyl)-6-oxopyridazine-3-carboxylate
PubChem CID71999560
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 1-(cyclohexylmethyl)-6-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC2CCCCC2)n1
InChIInChI=1S/C13H18N2O3/c1-18-13(17)11-7-8-12(16)15(14-11)9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3
InChIKeyWUZJXGUNOXOKDW-UHFFFAOYSA-N
XLogP1.61
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclohexylmethyl)-6-oxopyridazine-3-carboxylate?
The IUPAC name of methyl 1-(cyclohexylmethyl)-6-oxopyridazine-3-carboxylate (CID 71999560) is methyl 1-(cyclohexylmethyl)-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-(cyclohexylmethyl)-6-oxopyridazine-3-carboxylate?
The canonical SMILES for methyl 1-(cyclohexylmethyl)-6-oxopyridazine-3-carboxylate is COC(=O)c1ccc(=O)n(CC2CCCCC2)n1.
What is the InChIKey of methyl 1-(cyclohexylmethyl)-6-oxopyridazine-3-carboxylate?
The InChIKey is WUZJXGUNOXOKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-13(17)11-7-8-12(16)15(14-11)9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3.
What are the key properties of methyl 1-(cyclohexylmethyl)-6-oxopyridazine-3-carboxylate?
methyl 1-(cyclohexylmethyl)-6-oxopyridazine-3-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclohexylmethyl)-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 71999560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).