2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanamine

C12H13F3N4 — CID 56712834

IUPAC2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanamine
SMILESCc1nc(CCN)n(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H13F3N4/c1-8-17-11(6-7-16)19(18-8)10-4-2-9(3-5-10)12(13,14)15/h2-5H,6-7,16H2,1H3
InChIKeyFUSCPZJGSLWUAQ-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.10
Rot. Bonds3

About 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanamine

2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanamine (PubChem CID 56712834) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanamine
PubChem CID56712834
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanamine
SMILESCc1nc(CCN)n(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H13F3N4/c1-8-17-11(6-7-16)19(18-8)10-4-2-9(3-5-10)12(13,14)15/h2-5H,6-7,16H2,1H3
InChIKeyFUSCPZJGSLWUAQ-UHFFFAOYSA-N
XLogP2.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]aniline
CID 9840212
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline
CID 22493225
1,5-Diphenyl-3-trifluoromethyl-1h-1,2,4-triazole
CID 14027596
4-[1-(difluoromethyl)-1H-1,2,4-triazol-3-yl]aniline
CID 104181394
{(1E)-3-[1-(4-ethylphenyl)(1,2,3,4-tetraazol-5-yl)]-1-azaprop-1-enyl}(4-fluoro phenyl)amine
CID 9621330
1-[[2-(3,5-Dimethyl-1,2,4-triazol-4-yl)phenyl]methyl]-3-methylurea
CID 155550256
4-(5-amino-3-methyl-1H-1,2,4-triazol-1-yl)benzonitrile
CID 53621389
3-chloro-5-methyl-4-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
CID 63383535
3-chloro-5-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
CID 63383537
1-(4-fluoro-2-methylphenyl)-3-methyl-1H-1,2,4-triazol-5-amine
CID 63860344
1,3-Diphenyl-5-(trifluoromethyl)-1h-1,2,4-triazole
CID 86191531
5-(4-Methylphenyl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 102104094

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanamine (CID 56712834) is 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanamine is Cc1nc(CCN)n(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is FUSCPZJGSLWUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-8-17-11(6-7-16)19(18-8)10-4-2-9(3-5-10)12(13,14)15/h2-5H,6-7,16H2,1H3.
What are the key properties of 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanamine?
2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 270.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 56712834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).