6-amino-1,3,5-oxadiazine-2,4-dione

C3H3N3O3 — CID 22641208

IUPAC6-amino-1,3,5-oxadiazine-2,4-dione
SMILESNc1nc(=O)[nH]c(=O)o1
InChIInChI=1S/C3H3N3O3/c4-1-5-2(7)6-3(8)9-1/h(H3,4,5,6,7,8)
InChIKeyDPCOMXCPOLRYJD-UHFFFAOYSA-N
MW129.08 g/mol
LogP-1.69
Rot. Bonds

About 6-amino-1,3,5-oxadiazine-2,4-dione

6-amino-1,3,5-oxadiazine-2,4-dione (PubChem CID 22641208) has the molecular formula C3H3N3O3 and a molecular weight of 129.08 g/mol. Its IUPAC name is 6-amino-1,3,5-oxadiazine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3,5-oxadiazine-2,4-dione
PubChem CID22641208
Molecular FormulaC3H3N3O3
Molecular Weight129.08 g/mol
Exact Mass129.02
IUPAC Name6-amino-1,3,5-oxadiazine-2,4-dione
SMILESNc1nc(=O)[nH]c(=O)o1
InChIInChI=1S/C3H3N3O3/c4-1-5-2(7)6-3(8)9-1/h(H3,4,5,6,7,8)
InChIKeyDPCOMXCPOLRYJD-UHFFFAOYSA-N
XLogP-1.69
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.08
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3,5-oxadiazine-2,4-dione?
The IUPAC name of 6-amino-1,3,5-oxadiazine-2,4-dione (CID 22641208) is 6-amino-1,3,5-oxadiazine-2,4-dione.
What is the SMILES notation for 6-amino-1,3,5-oxadiazine-2,4-dione?
The canonical SMILES for 6-amino-1,3,5-oxadiazine-2,4-dione is Nc1nc(=O)[nH]c(=O)o1.
What is the InChIKey of 6-amino-1,3,5-oxadiazine-2,4-dione?
The InChIKey is DPCOMXCPOLRYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3/c4-1-5-2(7)6-3(8)9-1/h(H3,4,5,6,7,8).
What are the key properties of 6-amino-1,3,5-oxadiazine-2,4-dione?
6-amino-1,3,5-oxadiazine-2,4-dione has a molecular weight of 129.08 g/mol, XLogP of -1.69, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3,5-oxadiazine-2,4-dione is sourced from PubChem (CID 22641208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).