3-(3-ethoxy-4-propan-2-yloxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

C17H19N5O4 — CID 6411129

IUPAC3-(3-ethoxy-4-propan-2-yloxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCCOc1cc(-c2nnc3[nH]c(=O)n(C)c(=O)c3n2)ccc1OC(C)C
InChIInChI=1S/C17H19N5O4/c1-5-25-12-8-10(6-7-11(12)26-9(2)3)14-18-13-15(21-20-14)19-17(24)22(4)16(13)23/h6-9H,5H2,1-4H3,(H,19,21,24)
InChIKeyMDFPIOLALPQXNH-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.26
Rot. Bonds5

About 3-(3-ethoxy-4-propan-2-yloxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

3-(3-ethoxy-4-propan-2-yloxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 6411129) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-(3-ethoxy-4-propan-2-yloxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name3-(3-ethoxy-4-propan-2-yloxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID6411129
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name3-(3-ethoxy-4-propan-2-yloxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCCOc1cc(-c2nnc3[nH]c(=O)n(C)c(=O)c3n2)ccc1OC(C)C
InChIInChI=1S/C17H19N5O4/c1-5-25-12-8-10(6-7-11(12)26-9(2)3)14-18-13-15(21-20-14)19-17(24)22(4)16(13)23/h6-9H,5H2,1-4H3,(H,19,21,24)
InChIKeyMDFPIOLALPQXNH-UHFFFAOYSA-N
XLogP1.26
TPSA111.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-propan-2-yloxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 3-(3-ethoxy-4-propan-2-yloxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 6411129) is 3-(3-ethoxy-4-propan-2-yloxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 3-(3-ethoxy-4-propan-2-yloxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 3-(3-ethoxy-4-propan-2-yloxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is CCOc1cc(-c2nnc3[nH]c(=O)n(C)c(=O)c3n2)ccc1OC(C)C.
What is the InChIKey of 3-(3-ethoxy-4-propan-2-yloxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is MDFPIOLALPQXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-5-25-12-8-10(6-7-11(12)26-9(2)3)14-18-13-15(21-20-14)19-17(24)22(4)16(13)23/h6-9H,5H2,1-4H3,(H,19,21,24).
What are the key properties of 3-(3-ethoxy-4-propan-2-yloxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
3-(3-ethoxy-4-propan-2-yloxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 357.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-propan-2-yloxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 6411129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).