3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide

C11H9Cl2N3OS — CID 114038484

IUPAC3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)nnc2Cl)s1
InChIInChI=1S/C11H9Cl2N3OS/c1-6-2-3-7(18-6)5-14-11(17)8-4-9(12)15-16-10(8)13/h2-4H,5H2,1H3,(H,14,17)
InChIKeyYAGJZSMQUSWDLV-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.08
Rot. Bonds3

About 3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide

3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide (PubChem CID 114038484) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is 3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide
PubChem CID114038484
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)nnc2Cl)s1
InChIInChI=1S/C11H9Cl2N3OS/c1-6-2-3-7(18-6)5-14-11(17)8-4-9(12)15-16-10(8)13/h2-4H,5H2,1H3,(H,14,17)
InChIKeyYAGJZSMQUSWDLV-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 55021338
2-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-nitropyridine-3-carboxamide
CID 103803661
5-chloro-2-iodo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227109
4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 82832866
3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62055195
3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide
CID 103606489
5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62181465
3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide
CID 43501013
5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 79523994
5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 81317234
2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 103752450
3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 107980409

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide (CID 114038484) is 3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(Cl)nnc2Cl)s1.
What is the InChIKey of 3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide?
The InChIKey is YAGJZSMQUSWDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c1-6-2-3-7(18-6)5-14-11(17)8-4-9(12)15-16-10(8)13/h2-4H,5H2,1H3,(H,14,17).
What are the key properties of 3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide?
3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide has a molecular weight of 302.19 g/mol, XLogP of 3.08, 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-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 114038484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).