6-ethyl-1-methyl-1,3,5-triazine-2,4-dione

C6H9N3O2 — CID 45092654

IUPAC6-ethyl-1-methyl-1,3,5-triazine-2,4-dione
SMILESCCc1nc(=O)[nH]c(=O)n1C
InChIInChI=1S/C6H9N3O2/c1-3-4-7-5(10)8-6(11)9(4)2/h3H2,1-2H3,(H,8,10,11)
InChIKeyMTKNGUQPGDZEJU-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.97
Rot. Bonds1

About 6-ethyl-1-methyl-1,3,5-triazine-2,4-dione

6-ethyl-1-methyl-1,3,5-triazine-2,4-dione (PubChem CID 45092654) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 6-ethyl-1-methyl-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-ethyl-1-methyl-1,3,5-triazine-2,4-dione
PubChem CID45092654
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name6-ethyl-1-methyl-1,3,5-triazine-2,4-dione
SMILESCCc1nc(=O)[nH]c(=O)n1C
InChIInChI=1S/C6H9N3O2/c1-3-4-7-5(10)8-6(11)9(4)2/h3H2,1-2H3,(H,8,10,11)
InChIKeyMTKNGUQPGDZEJU-UHFFFAOYSA-N
XLogP-0.97
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-ethyl-1-methyl-1,3,5-triazine-2,4-dione (CID 45092654) is 6-ethyl-1-methyl-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-ethyl-1-methyl-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-ethyl-1-methyl-1,3,5-triazine-2,4-dione is CCc1nc(=O)[nH]c(=O)n1C.
What is the InChIKey of 6-ethyl-1-methyl-1,3,5-triazine-2,4-dione?
The InChIKey is MTKNGUQPGDZEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-3-4-7-5(10)8-6(11)9(4)2/h3H2,1-2H3,(H,8,10,11).
What are the key properties of 6-ethyl-1-methyl-1,3,5-triazine-2,4-dione?
6-ethyl-1-methyl-1,3,5-triazine-2,4-dione has a molecular weight of 155.16 g/mol, XLogP of -0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 45092654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).