6-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C14H23N7O2 — CID 25367909

IUPAC6-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCNc1nc2nonc2nc1N(C)CCN1CCCC1
InChIInChI=1S/C14H23N7O2/c1-20(8-9-21-6-3-4-7-21)14-13(15-5-10-22-2)16-11-12(17-14)19-23-18-11/h3-10H2,1-2H3,(H,15,16,18)
InChIKeyIJJLETUWYNURCZ-UHFFFAOYSA-N
MW321.39 g/mol
LogP0.60
Rot. Bonds8

About 6-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

6-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 25367909) has the molecular formula C14H23N7O2 and a molecular weight of 321.39 g/mol. Its IUPAC name is 6-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID25367909
Molecular FormulaC14H23N7O2
Molecular Weight321.39 g/mol
Exact Mass321.19
IUPAC Name6-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCNc1nc2nonc2nc1N(C)CCN1CCCC1
InChIInChI=1S/C14H23N7O2/c1-20(8-9-21-6-3-4-7-21)14-13(15-5-10-22-2)16-11-12(17-14)19-23-18-11/h3-10H2,1-2H3,(H,15,16,18)
InChIKeyIJJLETUWYNURCZ-UHFFFAOYSA-N
XLogP0.60
TPSA92.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 25367909) is 6-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is COCCNc1nc2nonc2nc1N(C)CCN1CCCC1.
What is the InChIKey of 6-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is IJJLETUWYNURCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O2/c1-20(8-9-21-6-3-4-7-21)14-13(15-5-10-22-2)16-11-12(17-14)19-23-18-11/h3-10H2,1-2H3,(H,15,16,18).
What are the key properties of 6-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 321.39 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 25367909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).