ethenamine;3-[(2R)-1-phenylpropan-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;propan-2-amine

C21H28F3N5 — CID 142870222

About ethenamine;3-[(2R)-1-phenylpropan-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;propan-2-amine

ethenamine;3-[(2R)-1-phenylpropan-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;propan-2-amine (PubChem CID 142870222) has the molecular formula C21H28F3N5 and a molecular weight of 407.48 g/mol. Its IUPAC name is ethenamine;3-[(2R)-1-phenylpropan-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;propan-2-amine.

Molecular Properties

• Compound Name: ethenamine;3-[(2R)-1-phenylpropan-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;propan-2-amine
• PubChem CID: 142870222
• Molecular Formula: C21H28F3N5
• Molecular Weight: 407.48 g/mol
• Exact Mass: 407.23
• IUPAC Name: ethenamine;3-[(2R)-1-phenylpropan-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;propan-2-amine
• SMILES: C=CN.CC(C)N.C[C@H](Cc1ccccc1)c1nnc2ccc(C(F)(F)F)cn12
• InChI: InChI=1S/C16H14F3N3.C3H9N.C2H5N/c1-11(9-12-5-3-2-4-6-12)15-21-20-14-8-7-13(10-22(14)15)16(17,18)19;1-3(2)4;1-2-3/h2-8,10-11H,9H2,1H3;3H,4H2,1-2H3;2H,1,3H2/t11-;;/m1../s1
• InChIKey: MFGFJWDBYNJKLW-NVJADKKVSA-N
• XLogP: 4.54
• TPSA: 82.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.48
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethenamine;3-[(2R)-1-phenylpropan-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;propan-2-amine?

The IUPAC name of ethenamine;3-[(2R)-1-phenylpropan-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;propan-2-amine (CID 142870222) is ethenamine;3-[(2R)-1-phenylpropan-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;propan-2-amine.

What is the SMILES notation for ethenamine;3-[(2R)-1-phenylpropan-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;propan-2-amine?

The canonical SMILES for ethenamine;3-[(2R)-1-phenylpropan-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;propan-2-amine is C=CN.CC(C)N.C[C@H](Cc1ccccc1)c1nnc2ccc(C(F)(F)F)cn12.

What is the InChIKey of ethenamine;3-[(2R)-1-phenylpropan-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;propan-2-amine?

The InChIKey is MFGFJWDBYNJKLW-NVJADKKVSA-N. The full InChI is InChI=1S/C16H14F3N3.C3H9N.C2H5N/c1-11(9-12-5-3-2-4-6-12)15-21-20-14-8-7-13(10-22(14)15)16(17,18)19;1-3(2)4;1-2-3/h2-8,10-11H,9H2,1H3;3H,4H2,1-2H3;2H,1,3H2/t11-;;/m1../s1.

What are the key properties of ethenamine;3-[(2R)-1-phenylpropan-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;propan-2-amine?

ethenamine;3-[(2R)-1-phenylpropan-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;propan-2-amine has a molecular weight of 407.48 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethenamine;3-[(2R)-1-phenylpropan-2-yl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;propan-2-amine is sourced from PubChem (CID 142870222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).