6-(cyclohexen-1-yl)-2-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C24H25F3N4 — CID 164948884

About 6-(cyclohexen-1-yl)-2-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

6-(cyclohexen-1-yl)-2-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 164948884) has the molecular formula C24H25F3N4 and a molecular weight of 426.49 g/mol. Its IUPAC name is 6-(cyclohexen-1-yl)-2-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

• Compound Name: 6-(cyclohexen-1-yl)-2-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
• PubChem CID: 164948884
• Molecular Formula: C24H25F3N4
• Molecular Weight: 426.49 g/mol
• Exact Mass: 426.20
• IUPAC Name: 6-(cyclohexen-1-yl)-2-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
• SMILES: C[C@@H](Nc1nc(C2CC2)nn2cc(C3=CCCCC3)cc12)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C24H25F3N4/c1-15(18-8-5-9-20(12-18)24(25,26)27)28-23-21-13-19(16-6-3-2-4-7-16)14-31(21)30-22(29-23)17-10-11-17/h5-6,8-9,12-15,17H,2-4,7,10-11H2,1H3,(H,28,29,30)/t15-/m1/s1
• InChIKey: WVFFQPXTMAPPBI-OAHLLOKOSA-N
• XLogP: 6.76
• TPSA: 42.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.49
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexen-1-yl)-2-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The IUPAC name of 6-(cyclohexen-1-yl)-2-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 164948884) is 6-(cyclohexen-1-yl)-2-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

What is the SMILES notation for 6-(cyclohexen-1-yl)-2-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The canonical SMILES for 6-(cyclohexen-1-yl)-2-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is C[C@@H](Nc1nc(C2CC2)nn2cc(C3=CCCCC3)cc12)c1cccc(C(F)(F)F)c1.

What is the InChIKey of 6-(cyclohexen-1-yl)-2-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The InChIKey is WVFFQPXTMAPPBI-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25F3N4/c1-15(18-8-5-9-20(12-18)24(25,26)27)28-23-21-13-19(16-6-3-2-4-7-16)14-31(21)30-22(29-23)17-10-11-17/h5-6,8-9,12-15,17H,2-4,7,10-11H2,1H3,(H,28,29,30)/t15-/m1/s1.

What are the key properties of 6-(cyclohexen-1-yl)-2-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?

6-(cyclohexen-1-yl)-2-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 426.49 g/mol, XLogP of 6.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclohexen-1-yl)-2-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 164948884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).