6-amino-1,3-diazinane-2,4-dione

C4H7N3O2 — CID 20811425

IUPAC6-amino-1,3-diazinane-2,4-dione
SMILESNC1CC(=O)NC(=O)N1
InChIInChI=1S/C4H7N3O2/c5-2-1-3(8)7-4(9)6-2/h2H,1,5H2,(H2,6,7,8,9)
InChIKeyNOJWUXXAWOQCOA-UHFFFAOYSA-N
MW129.12 g/mol
LogP-1.50
Rot. Bonds

About 6-amino-1,3-diazinane-2,4-dione

6-amino-1,3-diazinane-2,4-dione (PubChem CID 20811425) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 6-amino-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-diazinane-2,4-dione
PubChem CID20811425
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name6-amino-1,3-diazinane-2,4-dione
SMILESNC1CC(=O)NC(=O)N1
InChIInChI=1S/C4H7N3O2/c5-2-1-3(8)7-4(9)6-2/h2H,1,5H2,(H2,6,7,8,9)
InChIKeyNOJWUXXAWOQCOA-UHFFFAOYSA-N
XLogP-1.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-diazinane-2,4-dione?
The IUPAC name of 6-amino-1,3-diazinane-2,4-dione (CID 20811425) is 6-amino-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-amino-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-amino-1,3-diazinane-2,4-dione is NC1CC(=O)NC(=O)N1.
What is the InChIKey of 6-amino-1,3-diazinane-2,4-dione?
The InChIKey is NOJWUXXAWOQCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c5-2-1-3(8)7-4(9)6-2/h2H,1,5H2,(H2,6,7,8,9).
What are the key properties of 6-amino-1,3-diazinane-2,4-dione?
6-amino-1,3-diazinane-2,4-dione has a molecular weight of 129.12 g/mol, XLogP of -1.50, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-diazinane-2,4-dione is sourced from PubChem (CID 20811425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).