5,6-dimethyl-3-methylsulfanylpyridazine-4-carboxamide

C8H11N3OS — CID 126992144

IUPAC5,6-dimethyl-3-methylsulfanylpyridazine-4-carboxamide
SMILESCSc1nnc(C)c(C)c1C(N)=O
InChIInChI=1S/C8H11N3OS/c1-4-5(2)10-11-8(13-3)6(4)7(9)12/h1-3H3,(H2,9,12)
InChIKeyTXASXIPHSBVMCT-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.91
Rot. Bonds2

About 5,6-dimethyl-3-methylsulfanylpyridazine-4-carboxamide

5,6-dimethyl-3-methylsulfanylpyridazine-4-carboxamide (PubChem CID 126992144) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 5,6-dimethyl-3-methylsulfanylpyridazine-4-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-3-methylsulfanylpyridazine-4-carboxamide
PubChem CID126992144
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name5,6-dimethyl-3-methylsulfanylpyridazine-4-carboxamide
SMILESCSc1nnc(C)c(C)c1C(N)=O
InChIInChI=1S/C8H11N3OS/c1-4-5(2)10-11-8(13-3)6(4)7(9)12/h1-3H3,(H2,9,12)
InChIKeyTXASXIPHSBVMCT-UHFFFAOYSA-N
XLogP0.91
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-3-methylsulfanylpyridazine-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

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-methylsulfanylpyridazine-4-carboxamide?
The IUPAC name of 5,6-dimethyl-3-methylsulfanylpyridazine-4-carboxamide (CID 126992144) is 5,6-dimethyl-3-methylsulfanylpyridazine-4-carboxamide.
What is the SMILES notation for 5,6-dimethyl-3-methylsulfanylpyridazine-4-carboxamide?
The canonical SMILES for 5,6-dimethyl-3-methylsulfanylpyridazine-4-carboxamide is CSc1nnc(C)c(C)c1C(N)=O.
What is the InChIKey of 5,6-dimethyl-3-methylsulfanylpyridazine-4-carboxamide?
The InChIKey is TXASXIPHSBVMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-4-5(2)10-11-8(13-3)6(4)7(9)12/h1-3H3,(H2,9,12).
What are the key properties of 5,6-dimethyl-3-methylsulfanylpyridazine-4-carboxamide?
5,6-dimethyl-3-methylsulfanylpyridazine-4-carboxamide has a molecular weight of 197.26 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-methylsulfanylpyridazine-4-carboxamide is sourced from PubChem (CID 126992144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).