3-N,3-N,5-N,5-N-tetramethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-3,5-diamine

C13H16F3N5O2S — CID 1488378

IUPAC3-N,3-N,5-N,5-N-tetramethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-3,5-diamine
SMILESCN(C)c1nc(N(C)C)n(S(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H16F3N5O2S/c1-19(2)11-17-12(20(3)4)21(18-11)24(22,23)10-7-5-6-9(8-10)13(14,15)16/h5-8H,1-4H3
InChIKeyNUKFPHZUWRCJGT-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.67
Rot. Bonds4

About 3-N,3-N,5-N,5-N-tetramethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-3,5-diamine

3-N,3-N,5-N,5-N-tetramethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-3,5-diamine (PubChem CID 1488378) has the molecular formula C13H16F3N5O2S and a molecular weight of 363.37 g/mol. Its IUPAC name is 3-N,3-N,5-N,5-N-tetramethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N,3-N,5-N,5-N-tetramethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-3,5-diamine
PubChem CID1488378
Molecular FormulaC13H16F3N5O2S
Molecular Weight363.37 g/mol
Exact Mass363.10
IUPAC Name3-N,3-N,5-N,5-N-tetramethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-3,5-diamine
SMILESCN(C)c1nc(N(C)C)n(S(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H16F3N5O2S/c1-19(2)11-17-12(20(3)4)21(18-11)24(22,23)10-7-5-6-9(8-10)13(14,15)16/h5-8H,1-4H3
InChIKeyNUKFPHZUWRCJGT-UHFFFAOYSA-N
XLogP1.67
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(p-Toluenesulfonyl)-1,2,4-triazole
CID 3505424
N~3~,N~3~,N~5~,N~5~-tetramethyl-1-(2-naphthylsulfonyl)-1H-1,2,4-triazole-3,5-diamine
CID 4365102
N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2805441
Cambridge id 6680415
CID 23684918
N,N-dimethyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1H-1,2,3,4-tetraazol-5-amine
CID 1476912
N-{3-(dimethylamino)-1-[(4-fluorophenyl)sulfonyl]-1H-1,2,4-triazol-5-yl}-N,N-dimethylamine
CID 3839758
N-(1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 4521037
N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 74225710
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 83090797
4-(4-Methylphenyl)sulfonyl-1,2,4-triazole
CID 15356829
1-(2-Methylphenyl)sulfonyl-1,2,4-triazole
CID 172399695
N-(3-(Dimethylamino)-1-((4-methylphenyl)sulfonyl)-1H-1,2,4-triazol-5-yl)-N,N-dimethylamine
CID 4421959

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,5-N,5-N-tetramethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N,3-N,5-N,5-N-tetramethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-3,5-diamine (CID 1488378) is 3-N,3-N,5-N,5-N-tetramethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N,3-N,5-N,5-N-tetramethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N,3-N,5-N,5-N-tetramethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-3,5-diamine is CN(C)c1nc(N(C)C)n(S(=O)(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 3-N,3-N,5-N,5-N-tetramethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-3,5-diamine?
The InChIKey is NUKFPHZUWRCJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O2S/c1-19(2)11-17-12(20(3)4)21(18-11)24(22,23)10-7-5-6-9(8-10)13(14,15)16/h5-8H,1-4H3.
What are the key properties of 3-N,3-N,5-N,5-N-tetramethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-3,5-diamine?
3-N,3-N,5-N,5-N-tetramethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-3,5-diamine has a molecular weight of 363.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,5-N,5-N-tetramethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 1488378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).