methyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate

C13H19N3O2 — CID 63823251

IUPACmethyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2(C)CCCC2)nn1
InChIInChI=1S/C13H19N3O2/c1-13(7-3-4-8-13)9-14-11-6-5-10(15-16-11)12(17)18-2/h5-6H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKeyZRIAGJBQEQMCBO-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.26
Rot. Bonds4

About methyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate

methyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate (PubChem CID 63823251) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate
PubChem CID63823251
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2(C)CCCC2)nn1
InChIInChI=1S/C13H19N3O2/c1-13(7-3-4-8-13)9-14-11-6-5-10(15-16-11)12(17)18-2/h5-6H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKeyZRIAGJBQEQMCBO-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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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate (CID 63823251) is methyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate is COC(=O)c1ccc(NCC2(C)CCCC2)nn1.
What is the InChIKey of methyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate?
The InChIKey is ZRIAGJBQEQMCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(7-3-4-8-13)9-14-11-6-5-10(15-16-11)12(17)18-2/h5-6H,3-4,7-9H2,1-2H3,(H,14,16).
What are the key properties of methyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate?
methyl 6-[(1-methylcyclopentyl)methylamino]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-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 63823251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).