(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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Related Compounds

4-(4-pyridin-3-yltriazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 142737236
(2R)-4-[4-(3-methylphenyl)triazol-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine;hydrochloride
CID 71732746
3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine
CID 132850274
4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole
CID 134141433
(3R)-3-amino-1-[1-pyridin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;phosphoric acid
CID 56650988
(3R)-3-amino-1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
CID 44571734
ethane;3-(1-methyltriazol-4-yl)pyridine
CID 159786313
(4,5-difluoro-2-pyridin-3-ylphenyl)methanol
CID 141349558
3-[1-[6-(2-phenylphenoxy)hexyl]triazol-4-yl]pyridine
CID 86305870
(3R)-3-amino-1-[5-methylsulfonyl-2-(pyridine-3-carbonyl)-1,2,5-triazepan-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
CID 25177448
N-(2-phenylphenyl)sulfanyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-amine
CID 130240790
[2-fluoro-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine
CID 174611350

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).