(2R)-1-(1-quinolin-6-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine

C20H16F3N5 — CID 162675986

IUPAC(2R)-1-(1-quinolin-6-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine
SMILESN[C@@H](Cc1cn(-c2ccc3ncccc3c2)nn1)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C20H16F3N5/c21-17-10-19(23)18(22)8-13(17)6-14(24)9-15-11-28(27-26-15)16-3-4-20-12(7-16)2-1-5-25-20/h1-5,7-8,10-11,14H,6,9,24H2/t14-/m1/s1
InChIKeyKHNRZAQPIHXOTE-CQSZACIVSA-N
MW383.38 g/mol
LogP3.35
Rot. Bonds5

About (2R)-1-(1-quinolin-6-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine

(2R)-1-(1-quinolin-6-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine (PubChem CID 162675986) has the molecular formula C20H16F3N5 and a molecular weight of 383.38 g/mol. Its IUPAC name is (2R)-1-(1-quinolin-6-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(1-quinolin-6-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine
PubChem CID162675986
Molecular FormulaC20H16F3N5
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name(2R)-1-(1-quinolin-6-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine
SMILESN[C@@H](Cc1cn(-c2ccc3ncccc3c2)nn1)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C20H16F3N5/c21-17-10-19(23)18(22)8-13(17)6-14(24)9-15-11-28(27-26-15)16-3-4-20-12(7-16)2-1-5-25-20/h1-5,7-8,10-11,14H,6,9,24H2/t14-/m1/s1
InChIKeyKHNRZAQPIHXOTE-CQSZACIVSA-N
XLogP3.35
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1-quinolin-6-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine?
The IUPAC name of (2R)-1-(1-quinolin-6-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine (CID 162675986) is (2R)-1-(1-quinolin-6-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(1-quinolin-6-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(1-quinolin-6-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine is N[C@@H](Cc1cn(-c2ccc3ncccc3c2)nn1)Cc1cc(F)c(F)cc1F.
What is the InChIKey of (2R)-1-(1-quinolin-6-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine?
The InChIKey is KHNRZAQPIHXOTE-CQSZACIVSA-N. The full InChI is InChI=1S/C20H16F3N5/c21-17-10-19(23)18(22)8-13(17)6-14(24)9-15-11-28(27-26-15)16-3-4-20-12(7-16)2-1-5-25-20/h1-5,7-8,10-11,14H,6,9,24H2/t14-/m1/s1.
What are the key properties of (2R)-1-(1-quinolin-6-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine?
(2R)-1-(1-quinolin-6-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine has a molecular weight of 383.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-quinolin-6-yltriazol-4-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine is sourced from PubChem (CID 162675986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).