ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate

C13H19N3O2 — CID 129495548

IUPACethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCC[C@H](C)C2)nn1
InChIInChI=1S/C13H19N3O2/c1-3-18-13(17)11-6-7-12(15-14-11)16-8-4-5-10(2)9-16/h6-7,10H,3-5,8-9H2,1-2H3/t10-/m0/s1
InChIKeyCJMBUFKGGJNJFL-JTQLQIEISA-N
MW249.31 g/mol
LogP1.89
Rot. Bonds3

About ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate

ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate (PubChem CID 129495548) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate
PubChem CID129495548
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nameethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCC[C@H](C)C2)nn1
InChIInChI=1S/C13H19N3O2/c1-3-18-13(17)11-6-7-12(15-14-11)16-8-4-5-10(2)9-16/h6-7,10H,3-5,8-9H2,1-2H3/t10-/m0/s1
InChIKeyCJMBUFKGGJNJFL-JTQLQIEISA-N
XLogP1.89
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-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

Related Compounds

ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate
CID 129498668
N,N-diethyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124404
N-butan-2-yl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109111616
N-(2-ethoxyphenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109125972
ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate
CID 108773397
N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124840
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 60979698
ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 121206169
N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]cyclopropanecarboxamide
CID 113045004
ethyl N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]carbamate
CID 113015658
N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124665

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate (CID 129495548) is ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate is CCOC(=O)c1ccc(N2CCC[C@H](C)C2)nn1.
What is the InChIKey of ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate?
The InChIKey is CJMBUFKGGJNJFL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-18-13(17)11-6-7-12(15-14-11)16-8-4-5-10(2)9-16/h6-7,10H,3-5,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate?
ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate is sourced from PubChem (CID 129495548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).