1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate

C11H13N5O4 — CID 10802604

IUPAC1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate
SMILESCC(=O)OC(C)c1nnc2c(n1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C11H13N5O4/c1-5(20-6(2)17)8-12-7-9(14-13-8)15(3)11(19)16(4)10(7)18/h5H,1-4H3
InChIKeyLKAATQYPGALXDZ-UHFFFAOYSA-N
MW279.26 g/mol
LogP-0.95
Rot. Bonds2

About 1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate

1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate (PubChem CID 10802604) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate.

Molecular Properties

Compound Name1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate
PubChem CID10802604
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate
SMILESCC(=O)OC(C)c1nnc2c(n1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C11H13N5O4/c1-5(20-6(2)17)8-12-7-9(14-13-8)15(3)11(19)16(4)10(7)18/h5H,1-4H3
InChIKeyLKAATQYPGALXDZ-UHFFFAOYSA-N
XLogP-0.95
TPSA108.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate with MolForge

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Related Compounds

6,8-dimethyl-3-(morpholine-4-carbonyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 10733418
(1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate
CID 1263220
[acetyloxy-(4,6-dimethyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)methyl] acetate
CID 70143351
1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid
CID 15359662
6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 14823832
6,8-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide
CID 67307318
N-[2-(diethylamino)ethyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide
CID 10664509
1,3-dimethyl-6,7-bis[2-tri(propan-2-yl)silylethynyl]pteridine-2,4-dione
CID 15372365
2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)butyl acetate
CID 15673473
7-methoxy-1,3,6-trimethylpteridine-2,4-dione
CID 69440037
N-[3-(diethylamino)propyl]-6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide
CID 67308003
1-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]ethyl acetate
CID 154188034

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate?
The IUPAC name of 1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate (CID 10802604) is 1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate.
What is the SMILES notation for 1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate?
The canonical SMILES for 1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate is CC(=O)OC(C)c1nnc2c(n1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate?
The InChIKey is LKAATQYPGALXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c1-5(20-6(2)17)8-12-7-9(14-13-8)15(3)11(19)16(4)10(7)18/h5H,1-4H3.
What are the key properties of 1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate?
1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate has a molecular weight of 279.26 g/mol, XLogP of -0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate is sourced from PubChem (CID 10802604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).