2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C16H18N4O2 — CID 136862825

IUPAC2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCOc1ccccc1-c1nn2c(CC)nc(C)c2c(=O)[nH]1
InChIInChI=1S/C16H18N4O2/c1-4-13-17-10(3)14-16(21)18-15(19-20(13)14)11-8-6-7-9-12(11)22-5-2/h6-9H,4-5H2,1-3H3,(H,18,19,21)
InChIKeyWJNCBIHXDSOTEO-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.35
Rot. Bonds4

About 2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 136862825) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID136862825
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCOc1ccccc1-c1nn2c(CC)nc(C)c2c(=O)[nH]1
InChIInChI=1S/C16H18N4O2/c1-4-13-17-10(3)14-16(21)18-15(19-20(13)14)11-8-6-7-9-12(11)22-5-2/h6-9H,4-5H2,1-3H3,(H,18,19,21)
InChIKeyWJNCBIHXDSOTEO-UHFFFAOYSA-N
XLogP2.35
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyphenyl)-5,7-dimethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135443738
ethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 143281992
2-(2-ethoxy-4-methoxyphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135856735
2-[5-[(4-benzylpiperazin-1-yl)methyl]-2-ethoxyphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135698293
2-(2-ethoxy-5-methoxysulfanylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;methane
CID 143782268
2-[2-[(2,2-dihydroxyethylamino)-ethylamino]-3-ethoxyphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 151733256
4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-N-propylbenzenesulfonamide
CID 135906898
N-[2-(diethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135708033
2-[2-ethoxy-5-[(7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)sulfonyl]phenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135981254
methyl 4-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]benzoate
CID 136959511
4-ethoxy-N-(2-hydroxy-2-phenylethyl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135707938
N-benzyl-N-(2,2-dimethylpropyl)-4-ethoxy-3-(5-methyl-4-oxo-7-pentyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135769951

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 136862825) is 2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is CCOc1ccccc1-c1nn2c(CC)nc(C)c2c(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is WJNCBIHXDSOTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-4-13-17-10(3)14-16(21)18-15(19-20(13)14)11-8-6-7-9-12(11)22-5-2/h6-9H,4-5H2,1-3H3,(H,18,19,21).
What are the key properties of 2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 298.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 136862825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).