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

C5H8N2O2 — CID 533549

IUPAC3-methyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CCNC1=O
InChIInChI=1S/C5H8N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3H2,1H3,(H,6,9)
InChIKeyRVAFDUBAJVHJOG-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.44
Rot. Bonds

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

3-methyl-1,3-diazinane-2,4-dione (PubChem CID 533549) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 3-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-methyl-1,3-diazinane-2,4-dione
PubChem CID533549
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name3-methyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CCNC1=O
InChIInChI=1S/C5H8N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3H2,1H3,(H,6,9)
InChIKeyRVAFDUBAJVHJOG-UHFFFAOYSA-N
XLogP-0.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-methyl-1,3-diazinane-2,4-dione (CID 533549) is 3-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-methyl-1,3-diazinane-2,4-dione is CN1C(=O)CCNC1=O.
What is the InChIKey of 3-methyl-1,3-diazinane-2,4-dione?
The InChIKey is RVAFDUBAJVHJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3H2,1H3,(H,6,9).
What are the key properties of 3-methyl-1,3-diazinane-2,4-dione?
3-methyl-1,3-diazinane-2,4-dione has a molecular weight of 128.13 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 533549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).