[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide

C15H14F3N7O2S — CID 118324684

IUPAC[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cn(CS(N)(=O)=O)nn2)c1
InChIInChI=1S/C15H14F3N7O2S/c1-9-4-11(12-7-25(24-23-12)8-28(19,26)27)21-14(5-9)22-13-6-10(2-3-20-13)15(16,17)18/h2-7H,8H2,1H3,(H2,19,26,27)(H,20,21,22)
InChIKeyLBSCQJUYKSVGRH-UHFFFAOYSA-N
MW413.39 g/mol
LogP2.05
Rot. Bonds5

About [4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide

[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide (PubChem CID 118324684) has the molecular formula C15H14F3N7O2S and a molecular weight of 413.39 g/mol. Its IUPAC name is [4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide.

Molecular Properties

Compound Name[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide
PubChem CID118324684
Molecular FormulaC15H14F3N7O2S
Molecular Weight413.39 g/mol
Exact Mass413.09
IUPAC Name[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cn(CS(N)(=O)=O)nn2)c1
InChIInChI=1S/C15H14F3N7O2S/c1-9-4-11(12-7-25(24-23-12)8-28(19,26)27)21-14(5-9)22-13-6-10(2-3-20-13)15(16,17)18/h2-7H,8H2,1H3,(H2,19,26,27)(H,20,21,22)
InChIKeyLBSCQJUYKSVGRH-UHFFFAOYSA-N
XLogP2.05
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide with MolForge

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Related Compounds

2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate
CID 118324676
methyl 2-methyl-4-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]butanoate
CID 118324618
1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]pentane-2,3-diol
CID 118324614
4-methyl-6-[1-(3-phenylprop-2-enyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 131743510
1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 118324559
4-methyl-6-(2H-triazol-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 118271576
2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-2-phenylethanol
CID 118324575
methyl 1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]cyclopropane-1-carboxylate
CID 118324588
2-(4-fluorophenyl)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethanol
CID 118324530
4-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]pyrrolidin-3-ol
CID 118324418
4-methyl-6-pyridin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 149220337
1-[(2R)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]propanoyl]pyrrolidine-2-carboxamide
CID 118271525

Frequently Asked Questions

What is the IUPAC name of [4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide?
The IUPAC name of [4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide (CID 118324684) is [4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide.
What is the SMILES notation for [4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide?
The canonical SMILES for [4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cn(CS(N)(=O)=O)nn2)c1.
What is the InChIKey of [4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide?
The InChIKey is LBSCQJUYKSVGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7O2S/c1-9-4-11(12-7-25(24-23-12)8-28(19,26)27)21-14(5-9)22-13-6-10(2-3-20-13)15(16,17)18/h2-7H,8H2,1H3,(H2,19,26,27)(H,20,21,22).
What are the key properties of [4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide?
[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide has a molecular weight of 413.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide is sourced from PubChem (CID 118324684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).