6-ethenyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione

C9H9N3O2 — CID 129079777

IUPAC6-ethenyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
SMILESC=Cc1nc(=O)cc2n1CCNC2=O
InChIInChI=1S/C9H9N3O2/c1-2-7-11-8(13)5-6-9(14)10-3-4-12(6)7/h2,5H,1,3-4H2,(H,10,14)
InChIKeyMDHLUQJGSIYINQ-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.37
Rot. Bonds1

About 6-ethenyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione

6-ethenyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 129079777) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 6-ethenyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name6-ethenyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID129079777
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name6-ethenyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
SMILESC=Cc1nc(=O)cc2n1CCNC2=O
InChIInChI=1S/C9H9N3O2/c1-2-7-11-8(13)5-6-9(14)10-3-4-12(6)7/h2,5H,1,3-4H2,(H,10,14)
InChIKeyMDHLUQJGSIYINQ-UHFFFAOYSA-N
XLogP-0.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 6-ethenyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione (CID 129079777) is 6-ethenyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for 6-ethenyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 6-ethenyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione is C=Cc1nc(=O)cc2n1CCNC2=O.
What is the InChIKey of 6-ethenyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is MDHLUQJGSIYINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-7-11-8(13)5-6-9(14)10-3-4-12(6)7/h2,5H,1,3-4H2,(H,10,14).
What are the key properties of 6-ethenyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione?
6-ethenyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 191.19 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 129079777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).