4-(furan-2-ylmethylamino)diazinane-3,6-dione

C9H11N3O3 — CID 2943205

IUPAC4-(furan-2-ylmethylamino)diazinane-3,6-dione
SMILESO=C1CC(NCc2ccco2)C(=O)NN1
InChIInChI=1S/C9H11N3O3/c13-8-4-7(9(14)12-11-8)10-5-6-2-1-3-15-6/h1-3,7,10H,4-5H2,(H,11,13)(H,12,14)
InChIKeyMDESMYPAACPJGO-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.71
Rot. Bonds3

About 4-(furan-2-ylmethylamino)diazinane-3,6-dione

4-(furan-2-ylmethylamino)diazinane-3,6-dione (PubChem CID 2943205) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)diazinane-3,6-dione.

Molecular Properties

Compound Name4-(furan-2-ylmethylamino)diazinane-3,6-dione
PubChem CID2943205
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name4-(furan-2-ylmethylamino)diazinane-3,6-dione
SMILESO=C1CC(NCc2ccco2)C(=O)NN1
InChIInChI=1S/C9H11N3O3/c13-8-4-7(9(14)12-11-8)10-5-6-2-1-3-15-6/h1-3,7,10H,4-5H2,(H,11,13)(H,12,14)
InChIKeyMDESMYPAACPJGO-UHFFFAOYSA-N
XLogP-0.71
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)diazinane-3,6-dione?
The IUPAC name of 4-(furan-2-ylmethylamino)diazinane-3,6-dione (CID 2943205) is 4-(furan-2-ylmethylamino)diazinane-3,6-dione.
What is the SMILES notation for 4-(furan-2-ylmethylamino)diazinane-3,6-dione?
The canonical SMILES for 4-(furan-2-ylmethylamino)diazinane-3,6-dione is O=C1CC(NCc2ccco2)C(=O)NN1.
What is the InChIKey of 4-(furan-2-ylmethylamino)diazinane-3,6-dione?
The InChIKey is MDESMYPAACPJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-8-4-7(9(14)12-11-8)10-5-6-2-1-3-15-6/h1-3,7,10H,4-5H2,(H,11,13)(H,12,14).
What are the key properties of 4-(furan-2-ylmethylamino)diazinane-3,6-dione?
4-(furan-2-ylmethylamino)diazinane-3,6-dione has a molecular weight of 209.20 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylamino)diazinane-3,6-dione is sourced from PubChem (CID 2943205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).