4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride

C11H12ClN5O2S — CID 104673265

IUPAC4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCc1cc(-c2nnc(S(=O)(=O)Cl)n2C2CC2)c(C)nn1
InChIInChI=1S/C11H12ClN5O2S/c1-6-5-9(7(2)14-13-6)10-15-16-11(20(12,18)19)17(10)8-3-4-8/h5,8H,3-4H2,1-2H3
InChIKeyXYABZGQJYVNXDY-UHFFFAOYSA-N
MW313.77 g/mol
LogP1.61
Rot. Bonds3

About 4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride

4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride (PubChem CID 104673265) has the molecular formula C11H12ClN5O2S and a molecular weight of 313.77 g/mol. Its IUPAC name is 4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride
PubChem CID104673265
Molecular FormulaC11H12ClN5O2S
Molecular Weight313.77 g/mol
Exact Mass313.04
IUPAC Name4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCc1cc(-c2nnc(S(=O)(=O)Cl)n2C2CC2)c(C)nn1
InChIInChI=1S/C11H12ClN5O2S/c1-6-5-9(7(2)14-13-6)10-15-16-11(20(12,18)19)17(10)8-3-4-8/h5,8H,3-4H2,1-2H3
InChIKeyXYABZGQJYVNXDY-UHFFFAOYSA-N
XLogP1.61
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-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

4-cyclopropyl-5-(2,4-dibromophenyl)-1,2,4-triazole-3-sulfonyl chloride
CID 107944168
4-cyclopropyl-5-(2-fluoro-3-methylphenyl)-1,2,4-triazole-3-sulfonyl chloride
CID 113366068
4-cyclopropyl-5-(3-iodophenyl)-1,2,4-triazole-3-sulfonyl chloride
CID 113366071
4-cyclopropyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 113366092
4-tert-butyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonamide
CID 104673283
4-cyclopropyl-5-(4-methylcyclohexyl)-1,2,4-triazole-3-sulfonyl chloride
CID 113366072
4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride
CID 103167663
4-cyclopropyl-5-(3-methylimidazol-4-yl)-1,2,4-triazole-3-sulfonamide
CID 103512439
4-cyclopropyl-5-(3-iodophenyl)-1,2,4-triazole-3-sulfonamide
CID 113366348
5-(2,4-dibromophenyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride
CID 107944180
2,4-dichloro-6-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)aniline
CID 61378021
3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine
CID 104673238

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride?
The IUPAC name of 4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride (CID 104673265) is 4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride.
What is the SMILES notation for 4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride?
The canonical SMILES for 4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride is Cc1cc(-c2nnc(S(=O)(=O)Cl)n2C2CC2)c(C)nn1.
What is the InChIKey of 4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride?
The InChIKey is XYABZGQJYVNXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2S/c1-6-5-9(7(2)14-13-6)10-15-16-11(20(12,18)19)17(10)8-3-4-8/h5,8H,3-4H2,1-2H3.
What are the key properties of 4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride?
4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride has a molecular weight of 313.77 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(3,6-dimethylpyridazin-4-yl)-1,2,4-triazole-3-sulfonyl chloride is sourced from PubChem (CID 104673265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).