1-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one

C10H12N4O — CID 131654119

IUPAC1-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
SMILESO=C1CC2C(CCN2c2cnccn2)N1
InChIInChI=1S/C10H12N4O/c15-10-5-8-7(13-10)1-4-14(8)9-6-11-2-3-12-9/h2-3,6-8H,1,4-5H2,(H,13,15)
InChIKeyDNVHNWPUZPHCDF-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.06
Rot. Bonds1

About 1-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one

1-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one (PubChem CID 131654119) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name1-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
PubChem CID131654119
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
SMILESO=C1CC2C(CCN2c2cnccn2)N1
InChIInChI=1S/C10H12N4O/c15-10-5-8-7(13-10)1-4-14(8)9-6-11-2-3-12-9/h2-3,6-8H,1,4-5H2,(H,13,15)
InChIKeyDNVHNWPUZPHCDF-UHFFFAOYSA-N
XLogP-0.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
The IUPAC name of 1-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one (CID 131654119) is 1-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one.
What is the SMILES notation for 1-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
The canonical SMILES for 1-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one is O=C1CC2C(CCN2c2cnccn2)N1.
What is the InChIKey of 1-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
The InChIKey is DNVHNWPUZPHCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c15-10-5-8-7(13-10)1-4-14(8)9-6-11-2-3-12-9/h2-3,6-8H,1,4-5H2,(H,13,15).
What are the key properties of 1-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
1-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one has a molecular weight of 204.23 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 131654119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).