3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride

C9H10ClN5O2S — CID 104673255

IUPAC3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride
SMILESCCc1nnc(C)cc1-c1n[nH]c(S(=O)(=O)Cl)n1
InChIInChI=1S/C9H10ClN5O2S/c1-3-7-6(4-5(2)12-13-7)8-11-9(15-14-8)18(10,16)17/h4H,3H2,1-2H3,(H,11,14,15)
InChIKeyXIBJLRBBHBIMGE-UHFFFAOYSA-N
MW287.73 g/mol
LogP1.06
Rot. Bonds3

About 3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride

3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride (PubChem CID 104673255) has the molecular formula C9H10ClN5O2S and a molecular weight of 287.73 g/mol. Its IUPAC name is 3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride.

Molecular Properties

Compound Name3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride
PubChem CID104673255
Molecular FormulaC9H10ClN5O2S
Molecular Weight287.73 g/mol
Exact Mass287.02
IUPAC Name3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride
SMILESCCc1nnc(C)cc1-c1n[nH]c(S(=O)(=O)Cl)n1
InChIInChI=1S/C9H10ClN5O2S/c1-3-7-6(4-5(2)12-13-7)8-11-9(15-14-8)18(10,16)17/h4H,3H2,1-2H3,(H,11,14,15)
InChIKeyXIBJLRBBHBIMGE-UHFFFAOYSA-N
XLogP1.06
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride 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

3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine
CID 104670903
5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one
CID 104672911
3-(2,5-dibromophenyl)-1H-1,2,4-triazole-5-sulfonyl chloride
CID 114376515
3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonyl chloride
CID 137166902
3-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazole-5-sulfonyl chloride
CID 105064798
3-(2,5-difluoro-3-nitrophenyl)-1H-1,2,4-triazole-5-sulfonyl chloride
CID 107123857
5-(3-ethyl-6-methylpyridazin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 104670730
3-(4-chloro-3-fluorophenyl)-1H-1,2,4-triazole-5-sulfonyl chloride
CID 107996052
3-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazole-5-sulfonamide
CID 137166908
3-ethyl-6-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridazine
CID 104673234
5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 104672245
2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid
CID 104673061

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride?
The IUPAC name of 3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride (CID 104673255) is 3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride.
What is the SMILES notation for 3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride?
The canonical SMILES for 3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride is CCc1nnc(C)cc1-c1n[nH]c(S(=O)(=O)Cl)n1.
What is the InChIKey of 3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride?
The InChIKey is XIBJLRBBHBIMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O2S/c1-3-7-6(4-5(2)12-13-7)8-11-9(15-14-8)18(10,16)17/h4H,3H2,1-2H3,(H,11,14,15).
What are the key properties of 3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride?
3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride has a molecular weight of 287.73 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-6-methylpyridazin-4-yl)-1H-1,2,4-triazole-5-sulfonyl chloride is sourced from PubChem (CID 104673255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).