5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C17H23N7O2 — CID 42518795

About 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 42518795) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

• Compound Name: 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
• PubChem CID: 42518795
• Molecular Formula: C17H23N7O2
• Molecular Weight: 357.42 g/mol
• Exact Mass: 357.19
• IUPAC Name: 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
• SMILES: CCc1ccc(CN(C)c2nc3nonc3nc2NCCCOC)nc1
• InChI: InChI=1S/C17H23N7O2/c1-4-12-6-7-13(19-10-12)11-24(2)17-16(18-8-5-9-25-3)20-14-15(21-17)23-26-22-14/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,20,22)
• InChIKey: KYSUZNCYCJRPNA-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 102.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.42
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?

The IUPAC name of 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 42518795) is 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

What is the SMILES notation for 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?

The canonical SMILES for 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CCc1ccc(CN(C)c2nc3nonc3nc2NCCCOC)nc1.

What is the InChIKey of 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?

The InChIKey is KYSUZNCYCJRPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-4-12-6-7-13(19-10-12)11-24(2)17-16(18-8-5-9-25-3)20-14-15(21-17)23-26-22-14/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,20,22).

What are the key properties of 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?

5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 357.42 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 42518795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).