3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine

C15H11ClF3N5O2S — CID 22226709

IUPAC3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine
SMILESCc1cc(-c2nc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)nn2)ccc1Cl
InChIInChI=1S/C15H11ClF3N5O2S/c1-8-7-9(3-4-10(8)16)13-20-14(15(17,18)19)23-24(13)11-5-6-12(22-21-11)27(2,25)26/h3-7H,1-2H3
InChIKeyQPIHARGJEUJQSO-UHFFFAOYSA-N
MW417.80 g/mol
LogP3.11
Rot. Bonds3

About 3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine

3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine (PubChem CID 22226709) has the molecular formula C15H11ClF3N5O2S and a molecular weight of 417.80 g/mol. Its IUPAC name is 3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine.

Molecular Properties

Compound Name3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine
PubChem CID22226709
Molecular FormulaC15H11ClF3N5O2S
Molecular Weight417.80 g/mol
Exact Mass417.03
IUPAC Name3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine
SMILESCc1cc(-c2nc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)nn2)ccc1Cl
InChIInChI=1S/C15H11ClF3N5O2S/c1-8-7-9(3-4-10(8)16)13-20-14(15(17,18)19)23-24(13)11-5-6-12(22-21-11)27(2,25)26/h3-7H,1-2H3
InChIKeyQPIHARGJEUJQSO-UHFFFAOYSA-N
XLogP3.11
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.80
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine 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-[5-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine
CID 22226720
3-[5-(2-fluoro-5-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine
CID 150584486
6-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid
CID 22226750
6-[5-(3,5-dichloro-4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-sulfonic acid
CID 22226819
6-[5-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-sulfonic acid
CID 22226860
5-(4-chloro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 10094309
5-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide
CID 69353398
5-methylsulfonyl-2-[5-naphthalen-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 10477108
N-cyclopentyl-4-methyl-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 22499695
3-chloro-2-[5-methylsulfonyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
CID 103596081
4-[2-(4-chloro-3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 10621806
methanamine;5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 22226767

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine?
The IUPAC name of 3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine (CID 22226709) is 3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine.
What is the SMILES notation for 3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine?
The canonical SMILES for 3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine is Cc1cc(-c2nc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)nn2)ccc1Cl.
What is the InChIKey of 3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine?
The InChIKey is QPIHARGJEUJQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N5O2S/c1-8-7-9(3-4-10(8)16)13-20-14(15(17,18)19)23-24(13)11-5-6-12(22-21-11)27(2,25)26/h3-7H,1-2H3.
What are the key properties of 3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine?
3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine has a molecular weight of 417.80 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine is sourced from PubChem (CID 22226709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).