3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C24H28N8O2 — CID 121335869

About 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 121335869) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
• PubChem CID: 121335869
• Molecular Formula: C24H28N8O2
• Molecular Weight: 460.54 g/mol
• Exact Mass: 460.23
• IUPAC Name: 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
• SMILES: Cc1nnc2c(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)nccn12
• InChI: InChI=1S/C24H28N8O2/c1-16-29-30-24-23(27-8-9-32(16)24)28-17-2-4-19(5-3-17)34-21-15-18(31-10-12-33-13-11-31)14-20-22(21)26-7-6-25-20/h6-9,14-15,17,19H,2-5,10-13H2,1H3,(H,27,28)
• InChIKey: AFAQZVJRXZIBHT-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 102.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.54
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?

The IUPAC name of 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 121335869) is 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

What is the SMILES notation for 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?

The canonical SMILES for 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1nnc2c(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)nccn12.

What is the InChIKey of 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?

The InChIKey is AFAQZVJRXZIBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-16-29-30-24-23(27-8-9-32(16)24)28-17-2-4-19(5-3-17)34-21-15-18(31-10-12-33-13-11-31)14-20-22(21)26-7-6-25-20/h6-9,14-15,17,19H,2-5,10-13H2,1H3,(H,27,28).

What are the key properties of 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?

3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 460.54 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 121335869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).