5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine

C17H15F3N4O2 — CID 2053193

IUPAC5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine
SMILESCOc1ccc(-c2nnn(-c3cccc(C(F)(F)F)c3)c2N)cc1OC
InChIInChI=1S/C17H15F3N4O2/c1-25-13-7-6-10(8-14(13)26-2)15-16(21)24(23-22-15)12-5-3-4-11(9-12)17(18,19)20/h3-9H,21H2,1-2H3
InChIKeyRGTNFZXMJTZVQL-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.55
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine

5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine (PubChem CID 2053193) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine
PubChem CID2053193
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine
SMILESCOc1ccc(-c2nnn(-c3cccc(C(F)(F)F)c3)c2N)cc1OC
InChIInChI=1S/C17H15F3N4O2/c1-25-13-7-6-10(8-14(13)26-2)15-16(21)24(23-22-15)12-5-3-4-11(9-12)17(18,19)20/h3-9H,21H2,1-2H3
InChIKeyRGTNFZXMJTZVQL-UHFFFAOYSA-N
XLogP3.55
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-Pyrazol-5-amine, 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-
CID 680669
1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazol-4-amine
CID 73333291
1-(4-Methoxyphenyl)-4-phenyl-1H-1,2,3-triazol-5-amine
CID 14612169
4-(3,4-dimethoxyphenyl)-3-ethyl-1-phenyl-1H-pyrazol-5-amine
CID 743125
5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 4070309
1-(3,4-Dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-5-trifluoromethyl-1H-1,2,3-triazole
CID 139062664
3-[4-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-1-yl]phenol
CID 139062665
3-(3,4-dimethoxybenzyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 1125244
3-(2-Fluoro-4-trifluoromethyl-phenyl)-5-(4-methoxy-phenyl)-3H-[1,2,3]triazol-4-ylamine
CID 25215677
5-(2-Fluoro-4-trifluoromethyl-phenyl)-3-(4-methoxy-phenyl)-3H-[1,2,3]triazol-4-ylamine
CID 25215906
3-(2-Fluoro-4-trifluoromethyl-phenyl)-5-(4-trifluoromethoxy-phenyl)-3H-[1,2,3]triazol-4-ylamine
CID 25215908
5-(2,4-Difluoro-phenyl)-3-(4-methoxy-phenyl)-3H-[1,2,3]triazol-4-ylamine
CID 25216158

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine (CID 2053193) is 5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine is COc1ccc(-c2nnn(-c3cccc(C(F)(F)F)c3)c2N)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine?
The InChIKey is RGTNFZXMJTZVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-25-13-7-6-10(8-14(13)26-2)15-16(21)24(23-22-15)12-5-3-4-11(9-12)17(18,19)20/h3-9H,21H2,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine?
5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine has a molecular weight of 364.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine is sourced from PubChem (CID 2053193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).