(2R)-1-(4-phenyltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine

C17H15F3N4 — CID 71732654

IUPAC(2R)-1-(4-phenyltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine
SMILESN[C@H](Cc1cc(F)c(F)cc1F)Cn1cc(-c2ccccc2)nn1
InChIInChI=1S/C17H15F3N4/c18-14-8-16(20)15(19)7-12(14)6-13(21)9-24-10-17(22-23-24)11-4-2-1-3-5-11/h1-5,7-8,10,13H,6,9,21H2/t13-/m1/s1
InChIKeyUWKQNWVEIGHHGD-CYBMUJFWSA-N
MW332.33 g/mol
LogP2.93
Rot. Bonds5

About (2R)-1-(4-phenyltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine

(2R)-1-(4-phenyltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine (PubChem CID 71732654) has the molecular formula C17H15F3N4 and a molecular weight of 332.33 g/mol. Its IUPAC name is (2R)-1-(4-phenyltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-phenyltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine
PubChem CID71732654
Molecular FormulaC17H15F3N4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name(2R)-1-(4-phenyltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine
SMILESN[C@H](Cc1cc(F)c(F)cc1F)Cn1cc(-c2ccccc2)nn1
InChIInChI=1S/C17H15F3N4/c18-14-8-16(20)15(19)7-12(14)6-13(21)9-24-10-17(22-23-24)11-4-2-1-3-5-11/h1-5,7-8,10,13H,6,9,21H2/t13-/m1/s1
InChIKeyUWKQNWVEIGHHGD-CYBMUJFWSA-N
XLogP2.93
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-phenyltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine?
The IUPAC name of (2R)-1-(4-phenyltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine (CID 71732654) is (2R)-1-(4-phenyltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(4-phenyltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(4-phenyltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine is N[C@H](Cc1cc(F)c(F)cc1F)Cn1cc(-c2ccccc2)nn1.
What is the InChIKey of (2R)-1-(4-phenyltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine?
The InChIKey is UWKQNWVEIGHHGD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H15F3N4/c18-14-8-16(20)15(19)7-12(14)6-13(21)9-24-10-17(22-23-24)11-4-2-1-3-5-11/h1-5,7-8,10,13H,6,9,21H2/t13-/m1/s1.
What are the key properties of (2R)-1-(4-phenyltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine?
(2R)-1-(4-phenyltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine has a molecular weight of 332.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-phenyltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine is sourced from PubChem (CID 71732654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).