1,3-diazinane-2,4-dione;5-methyl-1,3-diazinane-2,4-dione

C9H14N4O4 — CID 74057503

IUPAC1,3-diazinane-2,4-dione;5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CNC(=O)NC1=O.O=C1CCNC(=O)N1
InChIInChI=1S/C5H8N2O2.C4H6N2O2/c1-3-2-6-5(9)7-4(3)8;7-3-1-2-5-4(8)6-3/h3H,2H2,1H3,(H2,6,7,8,9);1-2H2,(H2,5,6,7,8)
InChIKeyQBNHOARLOLUQDM-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.32
Rot. Bonds

About 1,3-diazinane-2,4-dione;5-methyl-1,3-diazinane-2,4-dione

1,3-diazinane-2,4-dione;5-methyl-1,3-diazinane-2,4-dione (PubChem CID 74057503) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1,3-diazinane-2,4-dione;5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,3-diazinane-2,4-dione;5-methyl-1,3-diazinane-2,4-dione
PubChem CID74057503
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name1,3-diazinane-2,4-dione;5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CNC(=O)NC1=O.O=C1CCNC(=O)N1
InChIInChI=1S/C5H8N2O2.C4H6N2O2/c1-3-2-6-5(9)7-4(3)8;7-3-1-2-5-4(8)6-3/h3H,2H2,1H3,(H2,6,7,8,9);1-2H2,(H2,5,6,7,8)
InChIKeyQBNHOARLOLUQDM-UHFFFAOYSA-N
XLogP-1.32
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-diazinane-2,4-dione;5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1,3-diazinane-2,4-dione;5-methyl-1,3-diazinane-2,4-dione (CID 74057503) is 1,3-diazinane-2,4-dione;5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,3-diazinane-2,4-dione;5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,3-diazinane-2,4-dione;5-methyl-1,3-diazinane-2,4-dione is CC1CNC(=O)NC1=O.O=C1CCNC(=O)N1.
What is the InChIKey of 1,3-diazinane-2,4-dione;5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is QBNHOARLOLUQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2.C4H6N2O2/c1-3-2-6-5(9)7-4(3)8;7-3-1-2-5-4(8)6-3/h3H,2H2,1H3,(H2,6,7,8,9);1-2H2,(H2,5,6,7,8).
What are the key properties of 1,3-diazinane-2,4-dione;5-methyl-1,3-diazinane-2,4-dione?
1,3-diazinane-2,4-dione;5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 242.23 g/mol, XLogP of -1.32, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinane-2,4-dione;5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 74057503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).