methyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate

C14H22N4O2 — CID 60968158

IUPACmethyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC(C)CN2CCCC2)nn1
InChIInChI=1S/C14H22N4O2/c1-11(10-18-7-3-4-8-18)9-15-13-6-5-12(16-17-13)14(19)20-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,17)
InChIKeyYJKOESDHJIPZHW-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.41
Rot. Bonds6

About methyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate

methyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate (PubChem CID 60968158) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate
PubChem CID60968158
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Namemethyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC(C)CN2CCCC2)nn1
InChIInChI=1S/C14H22N4O2/c1-11(10-18-7-3-4-8-18)9-15-13-6-5-12(16-17-13)14(19)20-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,17)
InChIKeyYJKOESDHJIPZHW-UHFFFAOYSA-N
XLogP1.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[4-(N-methylanilino)piperidin-1-yl]pyridazine-3-carboxylate
CID 71977949
Methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate
CID 75377047
Ethyl 6-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazine-3-carboxylate
CID 134788487
Butyl 6-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazine-3-carboxylate
CID 134790927
6-(Pyrrolidin-1-yl)pyridazine-3-carboxylic acid hydrochloride
CID 47003417
Methyl 6-(piperazin-1-yl)pyridazine-3-carboxylate dihydrochloride
CID 71756889
6-(Piperazin-1-yl)pyridazine-3-carboxylic acid hydrochloride
CID 122163377
Methyl 6-(pyrrolidin-1-yl)pyridazine-3-carboxylate
CID 16876478
Methyl 6-(3-methyl-4-pyrrolidin-1-ylanilino)pyridazine-3-carboxylate
CID 47053409
Methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
Methyl 6-(2,4-dimethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 71975674
Methyl 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazine-3-carboxylate
CID 75377272

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate (CID 60968158) is methyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate is COC(=O)c1ccc(NCC(C)CN2CCCC2)nn1.
What is the InChIKey of methyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate?
The InChIKey is YJKOESDHJIPZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(10-18-7-3-4-8-18)9-15-13-6-5-12(16-17-13)14(19)20-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,17).
What are the key properties of methyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate?
methyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 60968158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).