2-prop-2-enyl-1,3,6,8,9,9a-hexahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione

C9H14N4O2 — CID 175872921

IUPAC2-prop-2-enyl-1,3,6,8,9,9a-hexahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione
SMILESC=CCN1CC(=O)N2CC(=O)NCC2N1
InChIInChI=1S/C9H14N4O2/c1-2-3-12-6-9(15)13-5-8(14)10-4-7(13)11-12/h2,7,11H,1,3-6H2,(H,10,14)
InChIKeyOHHANWIWGXSDNA-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.72
Rot. Bonds2

About 2-prop-2-enyl-1,3,6,8,9,9a-hexahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione

2-prop-2-enyl-1,3,6,8,9,9a-hexahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione (PubChem CID 175872921) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-prop-2-enyl-1,3,6,8,9,9a-hexahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione.

Molecular Properties

Compound Name2-prop-2-enyl-1,3,6,8,9,9a-hexahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione
PubChem CID175872921
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-prop-2-enyl-1,3,6,8,9,9a-hexahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione
SMILESC=CCN1CC(=O)N2CC(=O)NCC2N1
InChIInChI=1S/C9H14N4O2/c1-2-3-12-6-9(15)13-5-8(14)10-4-7(13)11-12/h2,7,11H,1,3-6H2,(H,10,14)
InChIKeyOHHANWIWGXSDNA-UHFFFAOYSA-N
XLogP-1.72
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-1,3,6,8,9,9a-hexahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione?
The IUPAC name of 2-prop-2-enyl-1,3,6,8,9,9a-hexahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione (CID 175872921) is 2-prop-2-enyl-1,3,6,8,9,9a-hexahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione.
What is the SMILES notation for 2-prop-2-enyl-1,3,6,8,9,9a-hexahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione?
The canonical SMILES for 2-prop-2-enyl-1,3,6,8,9,9a-hexahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione is C=CCN1CC(=O)N2CC(=O)NCC2N1.
What is the InChIKey of 2-prop-2-enyl-1,3,6,8,9,9a-hexahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione?
The InChIKey is OHHANWIWGXSDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-3-12-6-9(15)13-5-8(14)10-4-7(13)11-12/h2,7,11H,1,3-6H2,(H,10,14).
What are the key properties of 2-prop-2-enyl-1,3,6,8,9,9a-hexahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione?
2-prop-2-enyl-1,3,6,8,9,9a-hexahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione has a molecular weight of 210.24 g/mol, XLogP of -1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1,3,6,8,9,9a-hexahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione is sourced from PubChem (CID 175872921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).