N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine

C11H11F3N4 — CID 112596439

IUPACN,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2cccc(C(F)(F)F)c2)n1C
InChIInChI=1S/C11H11F3N4/c1-15-10-17-16-9(18(10)2)7-4-3-5-8(6-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
InChIKeyHHYPDPFXWDPKRR-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.54
Rot. Bonds2

About N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine

N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine (PubChem CID 112596439) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
PubChem CID112596439
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC NameN,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2cccc(C(F)(F)F)c2)n1C
InChIInChI=1S/C11H11F3N4/c1-15-10-17-16-9(18(10)2)7-4-3-5-8(6-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
InChIKeyHHYPDPFXWDPKRR-UHFFFAOYSA-N
XLogP2.54
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 79018051
5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596565
4-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]benzoic acid
CID 112597595
N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine
CID 112596529
6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 14467852
1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrole-2-carbaldehyde
CID 28811541
3-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 1235396
6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139760
8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117147104
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
7-ethyl-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 157017965
3-[3-(trifluoromethyl)phenyl]-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
CID 45197545

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The IUPAC name of N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine (CID 112596439) is N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine is CNc1nnc(-c2cccc(C(F)(F)F)c2)n1C.
What is the InChIKey of N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The InChIKey is HHYPDPFXWDPKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c1-15-10-17-16-9(18(10)2)7-4-3-5-8(6-7)11(12,13)14/h3-6H,1-2H3,(H,15,17).
What are the key properties of N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine has a molecular weight of 256.23 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).