N,N-dimethyl-2-(4-methyl-5-phenyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine

C21H23F3N4 — CID 174706522

IUPACN,N-dimethyl-2-(4-methyl-5-phenyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine
SMILESCc1cc(C(C)C)c(-n2nc(C(F)(F)F)nc2N(C)C)cc1-c1ccccc1
InChIInChI=1S/C21H23F3N4/c1-13(2)16-11-14(3)17(15-9-7-6-8-10-15)12-18(16)28-20(27(4)5)25-19(26-28)21(22,23)24/h6-13H,1-5H3
InChIKeyWHKKNUNMUCZNIQ-UHFFFAOYSA-N
MW388.44 g/mol
LogP5.45
Rot. Bonds4

About N,N-dimethyl-2-(4-methyl-5-phenyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine

N,N-dimethyl-2-(4-methyl-5-phenyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine (PubChem CID 174706522) has the molecular formula C21H23F3N4 and a molecular weight of 388.44 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methyl-5-phenyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methyl-5-phenyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine
PubChem CID174706522
Molecular FormulaC21H23F3N4
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC NameN,N-dimethyl-2-(4-methyl-5-phenyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine
SMILESCc1cc(C(C)C)c(-n2nc(C(F)(F)F)nc2N(C)C)cc1-c1ccccc1
InChIInChI=1S/C21H23F3N4/c1-13(2)16-11-14(3)17(15-9-7-6-8-10-15)12-18(16)28-20(27(4)5)25-19(26-28)21(22,23)24/h6-13H,1-5H3
InChIKeyWHKKNUNMUCZNIQ-UHFFFAOYSA-N
XLogP5.45
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-(4-methyl-5-phenyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine with MolForge

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Related Compounds

4-chloro-5-[5-(dimethylamino)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-propan-2-ylbenzenesulfonic acid;hydrofluoride
CID 174644760
2-(2,4-dimethyl-5-phenylphenyl)-5-methyl-4-propan-2-ylpyridine
CID 170364620
1-fluoro-3-methyl-4-phenyl-2-propan-2-ylbenzene;1-fluoro-5-methyl-4-phenyl-2-propan-2-ylbenzene
CID 142366367
5-naphthalen-2-yl-7-phenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 17198433
4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine
CID 116896751
2-methyl-4-phenyl-5-propan-2-ylphenol
CID 174789166
2-(2,4-dimethyl-5-phenylphenyl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium
CID 140920618
2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium
CID 140920683
2-cyclopropyl-5-[5-(dimethylamino)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-fluorobenzenesulfonyl chloride
CID 87455428
1-(3-fluoro-4-methylsulfanylphenyl)-5-(3-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 22592497
2-(4-ethyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine;sulfuryl dichloride
CID 174706558
2-(4-methylphenyl)-4-phenyl-1-propan-2-ylbenzene
CID 163504482

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methyl-5-phenyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,N-dimethyl-2-(4-methyl-5-phenyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine (CID 174706522) is N,N-dimethyl-2-(4-methyl-5-phenyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,N-dimethyl-2-(4-methyl-5-phenyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,N-dimethyl-2-(4-methyl-5-phenyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine is Cc1cc(C(C)C)c(-n2nc(C(F)(F)F)nc2N(C)C)cc1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-(4-methyl-5-phenyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The InChIKey is WHKKNUNMUCZNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4/c1-13(2)16-11-14(3)17(15-9-7-6-8-10-15)12-18(16)28-20(27(4)5)25-19(26-28)21(22,23)24/h6-13H,1-5H3.
What are the key properties of N,N-dimethyl-2-(4-methyl-5-phenyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
N,N-dimethyl-2-(4-methyl-5-phenyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine has a molecular weight of 388.44 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methyl-5-phenyl-2-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 174706522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).