3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide

C11H9Cl2N3OS — CID 114038489

IUPAC3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)nnc1Cl)c1ccsc1
InChIInChI=1S/C11H9Cl2N3OS/c1-6(7-2-3-18-5-7)14-11(17)8-4-9(12)15-16-10(8)13/h2-6H,1H3,(H,14,17)
InChIKeyKVUPPHWBVXOXER-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.34
Rot. Bonds3

About 3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide

3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide (PubChem CID 114038489) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is 3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide
PubChem CID114038489
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)nnc1Cl)c1ccsc1
InChIInChI=1S/C11H9Cl2N3OS/c1-6(7-2-3-18-5-7)14-11(17)8-4-9(12)15-16-10(8)13/h2-6H,1H3,(H,14,17)
InChIKeyKVUPPHWBVXOXER-UHFFFAOYSA-N
XLogP3.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-chloro-N-(1-thiophen-3-ylethyl)benzamide
CID 62840251
3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide
CID 103606462
5-amino-2-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 55122397
6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 62842868
2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide
CID 55122299
3-amino-4-chloro-N-(1-thiophen-3-ylethyl)benzamide
CID 62840598
6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide
CID 62844280
2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide
CID 107952380
2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 62842689
2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide
CID 107028724
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
3-amino-N-(1-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 62840601

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide (CID 114038489) is 3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide is CC(NC(=O)c1cc(Cl)nnc1Cl)c1ccsc1.
What is the InChIKey of 3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide?
The InChIKey is KVUPPHWBVXOXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c1-6(7-2-3-18-5-7)14-11(17)8-4-9(12)15-16-10(8)13/h2-6H,1H3,(H,14,17).
What are the key properties of 3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide?
3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide has a molecular weight of 302.19 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 114038489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).