ethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate

C7H9N3O4 — CID 10584131

IUPACethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
SMILESCCOC(=O)c1nc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C7H9N3O4/c1-3-14-5(11)4-8-6(12)10(2)7(13)9-4/h3H2,1-2H3,(H,8,9,12,13)
InChIKeyOKJNCPYZGMIJCM-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.35
Rot. Bonds2

About ethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate

ethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate (PubChem CID 10584131) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is ethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
PubChem CID10584131
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Nameethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
SMILESCCOC(=O)c1nc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C7H9N3O4/c1-3-14-5(11)4-8-6(12)10(2)7(13)9-4/h3H2,1-2H3,(H,8,9,12,13)
InChIKeyOKJNCPYZGMIJCM-UHFFFAOYSA-N
XLogP-1.35
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 130005141
ethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate
CID 142115534
6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione
CID 23516186
ethyl 2-methyl-7-oxo-6H-[1,3]thiazolo[5,4-d]pyrimidine-5-carboxylate
CID 59298245
ethyl 5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxylate
CID 162444726
ethyl 1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole-2-carboxylate;hydrochloride
CID 166000101
ethyl 4-bromo-5-(trifluoromethyl)-1H-imidazole-2-carboxylate
CID 164869396
ethyl 7-methyl-1H-imidazo[4,5-b]pyridine-2-carboxylate
CID 63723819
ethyl 5-(difluoromethyl)-4-(dimethylsulfamoyl)-1H-imidazole-2-carboxylate
CID 123811667
ethyl 5-ethyl-4-iodo-1H-imidazole-2-carboxylate;ethyl 5-ethyl-4-methylsulfanyl-1H-imidazole-2-carboxylate
CID 158506295
ethyl 4-iodo-1H-benzimidazole-2-carboxylate
CID 131472468
ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate
CID 118992764

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate?
The IUPAC name of ethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate (CID 10584131) is ethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate?
The canonical SMILES for ethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate is CCOC(=O)c1nc(=O)n(C)c(=O)[nH]1.
What is the InChIKey of ethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate?
The InChIKey is OKJNCPYZGMIJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-3-14-5(11)4-8-6(12)10(2)7(13)9-4/h3H2,1-2H3,(H,8,9,12,13).
What are the key properties of ethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate?
ethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate has a molecular weight of 199.17 g/mol, XLogP of -1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 10584131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).