ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate

C9H14N4O4 — CID 60810816

IUPACethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate
SMILESCCOC(=O)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H14N4O4/c1-4-17-6(14)5-10-7-8(15)12(2)9(16)13(3)11-7/h4-5H2,1-3H3,(H,10,11)
InChIKeyFCAMEQXMLNXUJC-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.55
Rot. Bonds4

About ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate

ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate (PubChem CID 60810816) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate
PubChem CID60810816
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Nameethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate
SMILESCCOC(=O)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H14N4O4/c1-4-17-6(14)5-10-7-8(15)12(2)9(16)13(3)11-7/h4-5H2,1-3H3,(H,10,11)
InChIKeyFCAMEQXMLNXUJC-UHFFFAOYSA-N
XLogP-1.55
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate?
The IUPAC name of ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate (CID 60810816) is ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate is CCOC(=O)CNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate?
The InChIKey is FCAMEQXMLNXUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-4-17-6(14)5-10-7-8(15)12(2)9(16)13(3)11-7/h4-5H2,1-3H3,(H,10,11).
What are the key properties of ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate?
ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate has a molecular weight of 242.23 g/mol, XLogP of -1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate is sourced from PubChem (CID 60810816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).