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

C15H25N7O2 — CID 45216550

IUPAC6-N-(2-methoxyethyl)-5-N-methyl-5-N-[(1-methylpiperidin-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCNc1nc2nonc2nc1N(C)CC1CCCCN1C
InChIInChI=1S/C15H25N7O2/c1-21-8-5-4-6-11(21)10-22(2)15-14(16-7-9-23-3)17-12-13(18-15)20-24-19-12/h11H,4-10H2,1-3H3,(H,16,17,19)
InChIKeyJUEWKVUELROCJX-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.99
Rot. Bonds7

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

6-N-(2-methoxyethyl)-5-N-methyl-5-N-[(1-methylpiperidin-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 45216550) has the molecular formula C15H25N7O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-N-(2-methoxyethyl)-5-N-methyl-5-N-[(1-methylpiperidin-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-methoxyethyl)-5-N-methyl-5-N-[(1-methylpiperidin-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID45216550
Molecular FormulaC15H25N7O2
Molecular Weight335.41 g/mol
Exact Mass335.21
IUPAC Name6-N-(2-methoxyethyl)-5-N-methyl-5-N-[(1-methylpiperidin-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCNc1nc2nonc2nc1N(C)CC1CCCCN1C
InChIInChI=1S/C15H25N7O2/c1-21-8-5-4-6-11(21)10-22(2)15-14(16-7-9-23-3)17-12-13(18-15)20-24-19-12/h11H,4-10H2,1-3H3,(H,16,17,19)
InChIKeyJUEWKVUELROCJX-UHFFFAOYSA-N
XLogP0.99
TPSA92.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.99
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-[(1-methylpiperidin-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(2-methoxyethyl)-5-N-methyl-5-N-[(1-methylpiperidin-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 45216550) is 6-N-(2-methoxyethyl)-5-N-methyl-5-N-[(1-methylpiperidin-2-yl)methyl]-[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-[(1-methylpiperidin-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(2-methoxyethyl)-5-N-methyl-5-N-[(1-methylpiperidin-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is COCCNc1nc2nonc2nc1N(C)CC1CCCCN1C.
What is the InChIKey of 6-N-(2-methoxyethyl)-5-N-methyl-5-N-[(1-methylpiperidin-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is JUEWKVUELROCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O2/c1-21-8-5-4-6-11(21)10-22(2)15-14(16-7-9-23-3)17-12-13(18-15)20-24-19-12/h11H,4-10H2,1-3H3,(H,16,17,19).
What are the key properties of 6-N-(2-methoxyethyl)-5-N-methyl-5-N-[(1-methylpiperidin-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(2-methoxyethyl)-5-N-methyl-5-N-[(1-methylpiperidin-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 335.41 g/mol, XLogP of 0.99, 7 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-[(1-methylpiperidin-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 45216550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).