2-(2-ethoxyphenyl)-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one

C17H20N4O2 — CID 135475879

IUPAC2-(2-ethoxyphenyl)-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
SMILESCCCc1nc(C)n2c(=O)[nH]c(-c3ccccc3OCC)nc12
InChIInChI=1S/C17H20N4O2/c1-4-8-13-16-19-15(20-17(22)21(16)11(3)18-13)12-9-6-7-10-14(12)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20,22)
InChIKeySLLWQPUNKSEVKT-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.74
Rot. Bonds5

About 2-(2-ethoxyphenyl)-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one

2-(2-ethoxyphenyl)-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one (PubChem CID 135475879) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
PubChem CID135475879
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-(2-ethoxyphenyl)-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
SMILESCCCc1nc(C)n2c(=O)[nH]c(-c3ccccc3OCC)nc12
InChIInChI=1S/C17H20N4O2/c1-4-8-13-16-19-15(20-17(22)21(16)11(3)18-13)12-9-6-7-10-14(12)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20,22)
InChIKeySLLWQPUNKSEVKT-UHFFFAOYSA-N
XLogP2.74
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 2-(2-ethoxyphenyl)-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one (CID 135475879) is 2-(2-ethoxyphenyl)-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one is CCCc1nc(C)n2c(=O)[nH]c(-c3ccccc3OCC)nc12.
What is the InChIKey of 2-(2-ethoxyphenyl)-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is SLLWQPUNKSEVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-8-13-16-19-15(20-17(22)21(16)11(3)18-13)12-9-6-7-10-14(12)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20,22).
What are the key properties of 2-(2-ethoxyphenyl)-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one?
2-(2-ethoxyphenyl)-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 312.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 135475879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).