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

C7H9N3O4 — CID 58730534

IUPACmethyl 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
SMILESCCn1c(=O)nc(C(=O)OC)[nH]c1=O
InChIInChI=1S/C7H9N3O4/c1-3-10-6(12)8-4(5(11)14-2)9-7(10)13/h3H2,1-2H3,(H,8,9,12,13)
InChIKeyQDEPHGAOKHGQIX-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.26
Rot. Bonds2

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

methyl 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate (PubChem CID 58730534) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is methyl 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
PubChem CID58730534
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Namemethyl 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
SMILESCCn1c(=O)nc(C(=O)OC)[nH]c1=O
InChIInChI=1S/C7H9N3O4/c1-3-10-6(12)8-4(5(11)14-2)9-7(10)13/h3H2,1-2H3,(H,8,9,12,13)
InChIKeyQDEPHGAOKHGQIX-UHFFFAOYSA-N
XLogP-1.26
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 ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate?
The IUPAC name of methyl 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate (CID 58730534) is methyl 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for methyl 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate?
The canonical SMILES for methyl 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate is CCn1c(=O)nc(C(=O)OC)[nH]c1=O.
What is the InChIKey of methyl 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate?
The InChIKey is QDEPHGAOKHGQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-3-10-6(12)8-4(5(11)14-2)9-7(10)13/h3H2,1-2H3,(H,8,9,12,13).
What are the key properties of methyl 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate?
methyl 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate has a molecular weight of 199.17 g/mol, XLogP of -1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 58730534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).