7-butyl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C17H20N4O — CID 135752575

IUPAC7-butyl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCCCc1nc(CC)c2c(=O)[nH]c(-c3ccccc3)nn12
InChIInChI=1S/C17H20N4O/c1-3-5-11-14-18-13(4-2)15-17(22)19-16(20-21(14)15)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3,(H,19,20,22)
InChIKeyCWBVYBUFYYUAGL-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.99
Rot. Bonds5

About 7-butyl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

7-butyl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 135752575) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 7-butyl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-butyl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID135752575
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name7-butyl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCCCc1nc(CC)c2c(=O)[nH]c(-c3ccccc3)nn12
InChIInChI=1S/C17H20N4O/c1-3-5-11-14-18-13(4-2)15-17(22)19-16(20-21(14)15)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3,(H,19,20,22)
InChIKeyCWBVYBUFYYUAGL-UHFFFAOYSA-N
XLogP2.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(7-butyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]propanoic acid
CID 142830310
5-ethyl-7-heptan-3-yl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752609
7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752679
5,7-dimethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135708002
3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 175739970
2-(4-bromophenyl)-7-cyclopentyl-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752606
N-[2-(diethylamino)ethyl]-4-ethoxy-3-(5-ethyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-N-phenylbenzenesulfonamide
CID 135708028
N-[2-(dimethylamino)ethyl]-4-ethoxy-N-ethyl-3-(5-ethyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135708036
2-(2-butoxy-5-methylsulfonylphenyl)-7-ethyl-5-prop-2-enyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135433140
7-(1-adamantyl)-5-ethyl-2-thiophen-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135787979
2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764378
7-cyclopentyl-5-ethyl-2-isoquinolin-1-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135788021

Frequently Asked Questions

What is the IUPAC name of 7-butyl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-butyl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 135752575) is 7-butyl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-butyl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-butyl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is CCCCc1nc(CC)c2c(=O)[nH]c(-c3ccccc3)nn12.
What is the InChIKey of 7-butyl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is CWBVYBUFYYUAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-5-11-14-18-13(4-2)15-17(22)19-16(20-21(14)15)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3,(H,19,20,22).
What are the key properties of 7-butyl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
7-butyl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 296.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135752575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).