3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

C16H17N5O3 — CID 3950226

IUPAC3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCCOc1ccccc1-c1nc2c(=O)n(C)c(=O)nc-2n(CC)n1
InChIInChI=1S/C16H17N5O3/c1-4-21-14-12(15(22)20(3)16(23)18-14)17-13(19-21)10-8-6-7-9-11(10)24-5-2/h6-9H,4-5H2,1-3H3
InChIKeyZXCQCBJHCIFQNF-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.92
Rot. Bonds4

About 3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 3950226) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID3950226
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCCOc1ccccc1-c1nc2c(=O)n(C)c(=O)nc-2n(CC)n1
InChIInChI=1S/C16H17N5O3/c1-4-21-14-12(15(22)20(3)16(23)18-14)17-13(19-21)10-8-6-7-9-11(10)24-5-2/h6-9H,4-5H2,1-3H3
InChIKeyZXCQCBJHCIFQNF-UHFFFAOYSA-N
XLogP0.92
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione 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 3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 3950226) is 3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is CCOc1ccccc1-c1nc2c(=O)n(C)c(=O)nc-2n(CC)n1.
What is the InChIKey of 3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is ZXCQCBJHCIFQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-4-21-14-12(15(22)20(3)16(23)18-14)17-13(19-21)10-8-6-7-9-11(10)24-5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 327.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 3950226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).