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

C6H9N3O2 — CID 118066657

IUPAC1,5-dimethyl-6-methylidene-1,3,5-triazinane-2,4-dione
SMILESC=C1N(C)C(=O)NC(=O)N1C
InChIInChI=1S/C6H9N3O2/c1-4-8(2)5(10)7-6(11)9(4)3/h1H2,2-3H3,(H,7,10,11)
InChIKeyLKIFTBRSBOYPKM-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.16
Rot. Bonds

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

1,5-dimethyl-6-methylidene-1,3,5-triazinane-2,4-dione (PubChem CID 118066657) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 1,5-dimethyl-6-methylidene-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1,5-dimethyl-6-methylidene-1,3,5-triazinane-2,4-dione
PubChem CID118066657
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name1,5-dimethyl-6-methylidene-1,3,5-triazinane-2,4-dione
SMILESC=C1N(C)C(=O)NC(=O)N1C
InChIInChI=1S/C6H9N3O2/c1-4-8(2)5(10)7-6(11)9(4)3/h1H2,2-3H3,(H,7,10,11)
InChIKeyLKIFTBRSBOYPKM-UHFFFAOYSA-N
XLogP0.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-methylidene-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1,5-dimethyl-6-methylidene-1,3,5-triazinane-2,4-dione (CID 118066657) is 1,5-dimethyl-6-methylidene-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1,5-dimethyl-6-methylidene-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1,5-dimethyl-6-methylidene-1,3,5-triazinane-2,4-dione is C=C1N(C)C(=O)NC(=O)N1C.
What is the InChIKey of 1,5-dimethyl-6-methylidene-1,3,5-triazinane-2,4-dione?
The InChIKey is LKIFTBRSBOYPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4-8(2)5(10)7-6(11)9(4)3/h1H2,2-3H3,(H,7,10,11).
What are the key properties of 1,5-dimethyl-6-methylidene-1,3,5-triazinane-2,4-dione?
1,5-dimethyl-6-methylidene-1,3,5-triazinane-2,4-dione has a molecular weight of 155.16 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-methylidene-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 118066657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).