methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate

C11H15N3O2 — CID 75377047

IUPACmethyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N(C)C2CCC2)nn1
InChIInChI=1S/C11H15N3O2/c1-14(8-4-3-5-8)10-7-6-9(12-13-10)11(15)16-2/h6-8H,3-5H2,1-2H3
InChIKeyVUPFYLOOJBJMLC-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.25
Rot. Bonds3

About methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate

methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate (PubChem CID 75377047) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate
PubChem CID75377047
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Namemethyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N(C)C2CCC2)nn1
InChIInChI=1S/C11H15N3O2/c1-14(8-4-3-5-8)10-7-6-9(12-13-10)11(15)16-2/h6-8H,3-5H2,1-2H3
InChIKeyVUPFYLOOJBJMLC-UHFFFAOYSA-N
XLogP1.25
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate (CID 75377047) is methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate is COC(=O)c1ccc(N(C)C2CCC2)nn1.
What is the InChIKey of methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate?
The InChIKey is VUPFYLOOJBJMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14(8-4-3-5-8)10-7-6-9(12-13-10)11(15)16-2/h6-8H,3-5H2,1-2H3.
What are the key properties of methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate?
methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 75377047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).