3-methyl-6-methylidene-1,3,5-triazinane-2,4-dione

C5H7N3O2 — CID 145410786

IUPAC3-methyl-6-methylidene-1,3,5-triazinane-2,4-dione
SMILESC=C1NC(=O)N(C)C(=O)N1
InChIInChI=1S/C5H7N3O2/c1-3-6-4(9)8(2)5(10)7-3/h1H2,2H3,(H,6,9)(H,7,10)
InChIKeyJCZGBEURSCTODL-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.18
Rot. Bonds

About 3-methyl-6-methylidene-1,3,5-triazinane-2,4-dione

3-methyl-6-methylidene-1,3,5-triazinane-2,4-dione (PubChem CID 145410786) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-methyl-6-methylidene-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-methylidene-1,3,5-triazinane-2,4-dione
PubChem CID145410786
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name3-methyl-6-methylidene-1,3,5-triazinane-2,4-dione
SMILESC=C1NC(=O)N(C)C(=O)N1
InChIInChI=1S/C5H7N3O2/c1-3-6-4(9)8(2)5(10)7-3/h1H2,2H3,(H,6,9)(H,7,10)
InChIKeyJCZGBEURSCTODL-UHFFFAOYSA-N
XLogP-0.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-methylidene-1,3,5-triazinane-2,4-dione?
The IUPAC name of 3-methyl-6-methylidene-1,3,5-triazinane-2,4-dione (CID 145410786) is 3-methyl-6-methylidene-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 3-methyl-6-methylidene-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 3-methyl-6-methylidene-1,3,5-triazinane-2,4-dione is C=C1NC(=O)N(C)C(=O)N1.
What is the InChIKey of 3-methyl-6-methylidene-1,3,5-triazinane-2,4-dione?
The InChIKey is JCZGBEURSCTODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-3-6-4(9)8(2)5(10)7-3/h1H2,2H3,(H,6,9)(H,7,10).
What are the key properties of 3-methyl-6-methylidene-1,3,5-triazinane-2,4-dione?
3-methyl-6-methylidene-1,3,5-triazinane-2,4-dione has a molecular weight of 141.13 g/mol, XLogP of -0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-methylidene-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 145410786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).