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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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).