3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide

C12H11Cl2N3OS — CID 114038532

IUPAC3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C12H11Cl2N3OS/c1-17(5-4-8-3-2-6-19-8)12(18)9-7-10(13)15-16-11(9)14/h2-3,6-7H,4-5H2,1H3
InChIKeyUFELMVWEDNKTTG-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.16
Rot. Bonds4

About 3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide

3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide (PubChem CID 114038532) has the molecular formula C12H11Cl2N3OS and a molecular weight of 316.21 g/mol. Its IUPAC name is 3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide
PubChem CID114038532
Molecular FormulaC12H11Cl2N3OS
Molecular Weight316.21 g/mol
Exact Mass315.00
IUPAC Name3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C12H11Cl2N3OS/c1-17(5-4-8-3-2-6-19-8)12(18)9-7-10(13)15-16-11(9)14/h2-3,6-7H,4-5H2,1H3
InChIKeyUFELMVWEDNKTTG-UHFFFAOYSA-N
XLogP3.16
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide 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

5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036874
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82833096
3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide
CID 114038503
5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 79487631
5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79489207
N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107032184
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036837
6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 79487639
3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82829909
5-amino-2-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79475810
4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036891

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide (CID 114038532) is 3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide is CN(CCc1cccs1)C(=O)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide?
The InChIKey is UFELMVWEDNKTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3OS/c1-17(5-4-8-3-2-6-19-8)12(18)9-7-10(13)15-16-11(9)14/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide?
3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide has a molecular weight of 316.21 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 114038532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).