N-[(1R,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-4-[4-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b][1,2,4]triazol-2-amine

C23H25F3N8 — CID 146328381

About N-[(1R,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-4-[4-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b][1,2,4]triazol-2-amine

N-[(1R,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-4-[4-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b][1,2,4]triazol-2-amine (PubChem CID 146328381) has the molecular formula C23H25F3N8 and a molecular weight of 470.50 g/mol. Its IUPAC name is N-[(1R,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-4-[4-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b][1,2,4]triazol-2-amine.

Molecular Properties

• Compound Name: N-[(1R,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-4-[4-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b][1,2,4]triazol-2-amine
• PubChem CID: 146328381
• Molecular Formula: C23H25F3N8
• Molecular Weight: 470.50 g/mol
• Exact Mass: 470.22
• IUPAC Name: N-[(1R,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-4-[4-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b][1,2,4]triazol-2-amine
• SMILES: Cc1cc(N2C[C@H]3CC[C@H](C2)C3Nc2nc3n(n2)CCN3c2ccc(C(F)(F)F)cc2)ncn1
• InChI: InChI=1S/C23H25F3N8/c1-14-10-19(28-13-27-14)32-11-15-2-3-16(12-32)20(15)29-21-30-22-33(8-9-34(22)31-21)18-6-4-17(5-7-18)23(24,25)26/h4-7,10,13,15-16,20H,2-3,8-9,11-12H2,1H3,(H,29,31)/t15-,16-/m1/s1
• InChIKey: ZARAJXPSYXIZAY-HZPDHXFCSA-N
• XLogP: 3.87
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.50
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-4-[4-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b][1,2,4]triazol-2-amine?

The IUPAC name of N-[(1R,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-4-[4-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b][1,2,4]triazol-2-amine (CID 146328381) is N-[(1R,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-4-[4-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b][1,2,4]triazol-2-amine.

What is the SMILES notation for N-[(1R,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-4-[4-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b][1,2,4]triazol-2-amine?

The canonical SMILES for N-[(1R,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-4-[4-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b][1,2,4]triazol-2-amine is Cc1cc(N2C[C@H]3CC[C@H](C2)C3Nc2nc3n(n2)CCN3c2ccc(C(F)(F)F)cc2)ncn1.

What is the InChIKey of N-[(1R,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-4-[4-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b][1,2,4]triazol-2-amine?

The InChIKey is ZARAJXPSYXIZAY-HZPDHXFCSA-N. The full InChI is InChI=1S/C23H25F3N8/c1-14-10-19(28-13-27-14)32-11-15-2-3-16(12-32)20(15)29-21-30-22-33(8-9-34(22)31-21)18-6-4-17(5-7-18)23(24,25)26/h4-7,10,13,15-16,20H,2-3,8-9,11-12H2,1H3,(H,29,31)/t15-,16-/m1/s1.

What are the key properties of N-[(1R,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-4-[4-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b][1,2,4]triazol-2-amine?

N-[(1R,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-4-[4-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b][1,2,4]triazol-2-amine has a molecular weight of 470.50 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-4-[4-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 146328381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).