6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide

C12H10ClN3OS — CID 54927218

IUPAC6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide
SMILESCSc1cccc(NC(=O)c2ccc(Cl)nn2)c1
InChIInChI=1S/C12H10ClN3OS/c1-18-9-4-2-3-8(7-9)14-12(17)10-5-6-11(13)16-15-10/h2-7H,1H3,(H,14,17)
InChIKeyDTMSFQBFNCMQTB-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.10
Rot. Bonds3

About 6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide

6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide (PubChem CID 54927218) has the molecular formula C12H10ClN3OS and a molecular weight of 279.75 g/mol. Its IUPAC name is 6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide
PubChem CID54927218
Molecular FormulaC12H10ClN3OS
Molecular Weight279.75 g/mol
Exact Mass279.02
IUPAC Name6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide
SMILESCSc1cccc(NC(=O)c2ccc(Cl)nn2)c1
InChIInChI=1S/C12H10ClN3OS/c1-18-9-4-2-3-8(7-9)14-12(17)10-5-6-11(13)16-15-10/h2-7H,1H3,(H,14,17)
InChIKeyDTMSFQBFNCMQTB-UHFFFAOYSA-N
XLogP3.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 55153069
6-chloro-N-[3-(dimethylcarbamoyl)phenyl]pyridazine-3-carboxamide
CID 61041368
6-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 103874045
5-cyano-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 63719298
2-chloro-N-(3-methylsulfanylphenyl)quinoline-6-carboxamide
CID 55731147
6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide
CID 54926951
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide
CID 106685166
N-(3-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 695407
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide
CID 61042452

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide (CID 54927218) is 6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide is CSc1cccc(NC(=O)c2ccc(Cl)nn2)c1.
What is the InChIKey of 6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide?
The InChIKey is DTMSFQBFNCMQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3OS/c1-18-9-4-2-3-8(7-9)14-12(17)10-5-6-11(13)16-15-10/h2-7H,1H3,(H,14,17).
What are the key properties of 6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide?
6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide has a molecular weight of 279.75 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 54927218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).