1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione

C7H8N4O3 — CID 77019402

IUPAC1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(Cc2ncon2)C(=O)N1
InChIInChI=1S/C7H8N4O3/c12-6-1-2-11(7(13)9-6)3-5-8-4-14-10-5/h4H,1-3H2,(H,9,12,13)
InChIKeyGRYRXGSPHGNBFX-UHFFFAOYSA-N
MW196.17 g/mol
LogP-0.49
Rot. Bonds2

About 1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione

1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione (PubChem CID 77019402) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione
PubChem CID77019402
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(Cc2ncon2)C(=O)N1
InChIInChI=1S/C7H8N4O3/c12-6-1-2-11(7(13)9-6)3-5-8-4-14-10-5/h4H,1-3H2,(H,9,12,13)
InChIKeyGRYRXGSPHGNBFX-UHFFFAOYSA-N
XLogP-0.49
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione (CID 77019402) is 1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione is O=C1CCN(Cc2ncon2)C(=O)N1.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione?
The InChIKey is GRYRXGSPHGNBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c12-6-1-2-11(7(13)9-6)3-5-8-4-14-10-5/h4H,1-3H2,(H,9,12,13).
What are the key properties of 1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione?
1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione has a molecular weight of 196.17 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 77019402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).