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

C16H27N7O3 — CID 28922168

IUPAC6-N-(3-methoxypropyl)-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCCNc1nc2nonc2nc1N(C)CCCN1CCOCC1
InChIInChI=1S/C16H27N7O3/c1-22(6-4-7-23-8-11-25-12-9-23)16-15(17-5-3-10-24-2)18-13-14(19-16)21-26-20-13/h3-12H2,1-2H3,(H,17,18,20)
InChIKeyDHSKLLBQAWVFLN-UHFFFAOYSA-N
MW365.44 g/mol
LogP0.62
Rot. Bonds10

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

6-N-(3-methoxypropyl)-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 28922168) has the molecular formula C16H27N7O3 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-N-(3-methoxypropyl)-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(3-methoxypropyl)-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID28922168
Molecular FormulaC16H27N7O3
Molecular Weight365.44 g/mol
Exact Mass365.22
IUPAC Name6-N-(3-methoxypropyl)-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCCNc1nc2nonc2nc1N(C)CCCN1CCOCC1
InChIInChI=1S/C16H27N7O3/c1-22(6-4-7-23-8-11-25-12-9-23)16-15(17-5-3-10-24-2)18-13-14(19-16)21-26-20-13/h3-12H2,1-2H3,(H,17,18,20)
InChIKeyDHSKLLBQAWVFLN-UHFFFAOYSA-N
XLogP0.62
TPSA101.67 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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-(3-methoxypropyl)-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(3-methoxypropyl)-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 28922168) is 6-N-(3-methoxypropyl)-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(3-methoxypropyl)-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(3-methoxypropyl)-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is COCCCNc1nc2nonc2nc1N(C)CCCN1CCOCC1.
What is the InChIKey of 6-N-(3-methoxypropyl)-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is DHSKLLBQAWVFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N7O3/c1-22(6-4-7-23-8-11-25-12-9-23)16-15(17-5-3-10-24-2)18-13-14(19-16)21-26-20-13/h3-12H2,1-2H3,(H,17,18,20).
What are the key properties of 6-N-(3-methoxypropyl)-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(3-methoxypropyl)-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 365.44 g/mol, XLogP of 0.62, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methoxypropyl)-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 28922168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).