5,5-dimethoxypyrrolo[3,4-b]pyrazin-7-amine

C8H10N4O2 — CID 134843583

IUPAC5,5-dimethoxypyrrolo[3,4-b]pyrazin-7-amine
SMILESCOC1(OC)N=C(N)c2nccnc21
InChIInChI=1S/C8H10N4O2/c1-13-8(14-2)6-5(7(9)12-8)10-3-4-11-6/h3-4H,1-2H3,(H2,9,12)
InChIKeyIOPQWUYCMXLKDE-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.40
Rot. Bonds2

About 5,5-dimethoxypyrrolo[3,4-b]pyrazin-7-amine

5,5-dimethoxypyrrolo[3,4-b]pyrazin-7-amine (PubChem CID 134843583) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 5,5-dimethoxypyrrolo[3,4-b]pyrazin-7-amine.

Molecular Properties

Compound Name5,5-dimethoxypyrrolo[3,4-b]pyrazin-7-amine
PubChem CID134843583
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name5,5-dimethoxypyrrolo[3,4-b]pyrazin-7-amine
SMILESCOC1(OC)N=C(N)c2nccnc21
InChIInChI=1S/C8H10N4O2/c1-13-8(14-2)6-5(7(9)12-8)10-3-4-11-6/h3-4H,1-2H3,(H2,9,12)
InChIKeyIOPQWUYCMXLKDE-UHFFFAOYSA-N
XLogP-0.40
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethoxypyrrolo[3,4-b]pyrazin-7-amine?
The IUPAC name of 5,5-dimethoxypyrrolo[3,4-b]pyrazin-7-amine (CID 134843583) is 5,5-dimethoxypyrrolo[3,4-b]pyrazin-7-amine.
What is the SMILES notation for 5,5-dimethoxypyrrolo[3,4-b]pyrazin-7-amine?
The canonical SMILES for 5,5-dimethoxypyrrolo[3,4-b]pyrazin-7-amine is COC1(OC)N=C(N)c2nccnc21.
What is the InChIKey of 5,5-dimethoxypyrrolo[3,4-b]pyrazin-7-amine?
The InChIKey is IOPQWUYCMXLKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-13-8(14-2)6-5(7(9)12-8)10-3-4-11-6/h3-4H,1-2H3,(H2,9,12).
What are the key properties of 5,5-dimethoxypyrrolo[3,4-b]pyrazin-7-amine?
5,5-dimethoxypyrrolo[3,4-b]pyrazin-7-amine has a molecular weight of 194.19 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethoxypyrrolo[3,4-b]pyrazin-7-amine is sourced from PubChem (CID 134843583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).