ethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C22H34N4O2 — CID 143281992

IUPACethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCC.CC.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(C)ccc3OCC)nn12
InChIInChI=1S/C18H22N4O2.2C2H6/c1-5-7-15-19-12(4)16-18(23)20-17(21-22(15)16)13-10-11(3)8-9-14(13)24-6-2;2*1-2/h8-10H,5-7H2,1-4H3,(H,20,21,23);2*1-2H3
InChIKeyGBZOJLNJMFCPOB-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.11
Rot. Bonds5

About ethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

ethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 143281992) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is ethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Nameethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID143281992
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Nameethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCC.CC.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(C)ccc3OCC)nn12
InChIInChI=1S/C18H22N4O2.2C2H6/c1-5-7-15-19-12(4)16-18(23)20-17(21-22(15)16)13-10-11(3)8-9-14(13)24-6-2;2*1-2/h8-10H,5-7H2,1-4H3,(H,20,21,23);2*1-2H3
InChIKeyGBZOJLNJMFCPOB-UHFFFAOYSA-N
XLogP5.11
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxy-5-methoxysulfanylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;methane
CID 143782268
N,2-dimethyl-2-(methylamino)propanamide;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;formaldehyde
CID 143281999
4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-N-propylbenzenesulfonamide
CID 135906898
2-(2-ethoxy-4-methoxyphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135856735
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-[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
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-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]cyclohexane-1-carboxamide
CID 137136961
4-ethoxy-N-(4-ethoxyphenyl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135707985
ethyl 4-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]piperazine-1-carboxylate
CID 135698337
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
butane;N,N-dimethylformamide;2-(2-ethoxy-5-methylsulfonylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-methylpropane
CID 143282000

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of ethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 143281992) is ethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for ethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for ethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is CC.CC.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(C)ccc3OCC)nn12.
What is the InChIKey of ethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is GBZOJLNJMFCPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.2C2H6/c1-5-7-15-19-12(4)16-18(23)20-17(21-22(15)16)13-10-11(3)8-9-14(13)24-6-2;2*1-2/h8-10H,5-7H2,1-4H3,(H,20,21,23);2*1-2H3.
What are the key properties of ethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
ethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 386.54 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 143281992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).