(3R)-1-([1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine

C16H15F3N6 — CID 86766195

IUPAC(3R)-1-([1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine
SMILESN[C@H]1CN(c2ccn3cnnc3n2)CCC1c1cc(F)c(F)cc1F
InChIInChI=1S/C16H15F3N6/c17-11-6-13(19)12(18)5-10(11)9-1-3-24(7-14(9)20)15-2-4-25-8-21-23-16(25)22-15/h2,4-6,8-9,14H,1,3,7,20H2/t9?,14-/m0/s1
InChIKeyBVGLFSCRZQKKNX-RJSPSEDBSA-N
MW348.33 g/mol
LogP1.86
Rot. Bonds2

About (3R)-1-([1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine

(3R)-1-([1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine (PubChem CID 86766195) has the molecular formula C16H15F3N6 and a molecular weight of 348.33 g/mol. Its IUPAC name is (3R)-1-([1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-([1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine
PubChem CID86766195
Molecular FormulaC16H15F3N6
Molecular Weight348.33 g/mol
Exact Mass348.13
IUPAC Name(3R)-1-([1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine
SMILESN[C@H]1CN(c2ccn3cnnc3n2)CCC1c1cc(F)c(F)cc1F
InChIInChI=1S/C16H15F3N6/c17-11-6-13(19)12(18)5-10(11)9-1-3-24(7-14(9)20)15-2-4-25-8-21-23-16(25)22-15/h2,4-6,8-9,14H,1,3,7,20H2/t9?,14-/m0/s1
InChIKeyBVGLFSCRZQKKNX-RJSPSEDBSA-N
XLogP1.86
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R)-1-([1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-([1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine?
The IUPAC name of (3R)-1-([1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine (CID 86766195) is (3R)-1-([1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-([1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-([1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine is N[C@H]1CN(c2ccn3cnnc3n2)CCC1c1cc(F)c(F)cc1F.
What is the InChIKey of (3R)-1-([1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine?
The InChIKey is BVGLFSCRZQKKNX-RJSPSEDBSA-N. The full InChI is InChI=1S/C16H15F3N6/c17-11-6-13(19)12(18)5-10(11)9-1-3-24(7-14(9)20)15-2-4-25-8-21-23-16(25)22-15/h2,4-6,8-9,14H,1,3,7,20H2/t9?,14-/m0/s1.
What are the key properties of (3R)-1-([1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine?
(3R)-1-([1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine has a molecular weight of 348.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-([1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine is sourced from PubChem (CID 86766195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).