N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrazin-2-amine

C20H23F3N8O2 — CID 170394753

About N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrazin-2-amine

N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 170394753) has the molecular formula C20H23F3N8O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

• Compound Name: N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrazin-2-amine
• PubChem CID: 170394753
• Molecular Formula: C20H23F3N8O2
• Molecular Weight: 464.45 g/mol
• Exact Mass: 464.19
• IUPAC Name: N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrazin-2-amine
• SMILES: FC(F)(F)c1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)cn1
• InChI: InChI=1S/C20H23F3N8O2/c21-20(22,23)15-10-25-16(11-24-15)28-13-1-3-14(4-2-13)33-19-29-18(30-5-7-32-8-6-30)9-17-26-12-27-31(17)19/h9-14H,1-8H2,(H,25,28)
• InChIKey: BPKZQXLRKHRRGJ-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 102.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.45
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrazin-2-amine?

The IUPAC name of N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrazin-2-amine (CID 170394753) is N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrazin-2-amine.

What is the SMILES notation for N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrazin-2-amine?

The canonical SMILES for N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrazin-2-amine is FC(F)(F)c1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)cn1.

What is the InChIKey of N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrazin-2-amine?

The InChIKey is BPKZQXLRKHRRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N8O2/c21-20(22,23)15-10-25-16(11-24-15)28-13-1-3-14(4-2-13)33-19-29-18(30-5-7-32-8-6-30)9-17-26-12-27-31(17)19/h9-14H,1-8H2,(H,25,28).

What are the key properties of N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrazin-2-amine?

N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 464.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 170394753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).