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

C16H14F3N5 — CID 142737235

IUPAC(2R)-1-(4-pyridin-3-yltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine
SMILESN[C@H](Cc1cc(F)c(F)cc1F)Cn1cc(-c2cccnc2)nn1
InChIInChI=1S/C16H14F3N5/c17-13-6-15(19)14(18)5-11(13)4-12(20)8-24-9-16(22-23-24)10-2-1-3-21-7-10/h1-3,5-7,9,12H,4,8,20H2/t12-/m1/s1
InChIKeyVDQIGCRJQHOAKK-GFCCVEGCSA-N
MW333.32 g/mol
LogP2.33
Rot. Bonds5

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

(2R)-1-(4-pyridin-3-yltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine (PubChem CID 142737235) has the molecular formula C16H14F3N5 and a molecular weight of 333.32 g/mol. Its IUPAC name is (2R)-1-(4-pyridin-3-yltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-pyridin-3-yltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine
PubChem CID142737235
Molecular FormulaC16H14F3N5
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC Name(2R)-1-(4-pyridin-3-yltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine
SMILESN[C@H](Cc1cc(F)c(F)cc1F)Cn1cc(-c2cccnc2)nn1
InChIInChI=1S/C16H14F3N5/c17-13-6-15(19)14(18)5-11(13)4-12(20)8-24-9-16(22-23-24)10-2-1-3-21-7-10/h1-3,5-7,9,12H,4,8,20H2/t12-/m1/s1
InChIKeyVDQIGCRJQHOAKK-GFCCVEGCSA-N
XLogP2.33
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.33
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-(4-pyridin-3-yltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine?
The IUPAC name of (2R)-1-(4-pyridin-3-yltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine (CID 142737235) is (2R)-1-(4-pyridin-3-yltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(4-pyridin-3-yltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(4-pyridin-3-yltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine is N[C@H](Cc1cc(F)c(F)cc1F)Cn1cc(-c2cccnc2)nn1.
What is the InChIKey of (2R)-1-(4-pyridin-3-yltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine?
The InChIKey is VDQIGCRJQHOAKK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H14F3N5/c17-13-6-15(19)14(18)5-11(13)4-12(20)8-24-9-16(22-23-24)10-2-1-3-21-7-10/h1-3,5-7,9,12H,4,8,20H2/t12-/m1/s1.
What are the key properties of (2R)-1-(4-pyridin-3-yltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine?
(2R)-1-(4-pyridin-3-yltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine has a molecular weight of 333.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-pyridin-3-yltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine is sourced from PubChem (CID 142737235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).