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

C20H26N4O — CID 135752609

IUPAC5-ethyl-7-heptan-3-yl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCCCC(CC)c1nc(CC)c2c(=O)[nH]c(-c3ccccc3)nn12
InChIInChI=1S/C20H26N4O/c1-4-7-11-14(5-2)19-21-16(6-3)17-20(25)22-18(23-24(17)19)15-12-9-8-10-13-15/h8-10,12-14H,4-7,11H2,1-3H3,(H,22,23,25)
InChIKeyFYJZHYMPFQHGTJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.33
Rot. Bonds7

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

5-ethyl-7-heptan-3-yl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 135752609) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 5-ethyl-7-heptan-3-yl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-ethyl-7-heptan-3-yl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID135752609
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name5-ethyl-7-heptan-3-yl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCCCC(CC)c1nc(CC)c2c(=O)[nH]c(-c3ccccc3)nn12
InChIInChI=1S/C20H26N4O/c1-4-7-11-14(5-2)19-21-16(6-3)17-20(25)22-18(23-24(17)19)15-12-9-8-10-13-15/h8-10,12-14H,4-7,11H2,1-3H3,(H,22,23,25)
InChIKeyFYJZHYMPFQHGTJ-UHFFFAOYSA-N
XLogP4.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752679
7-butyl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752575
2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752632
5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135553063
3-[3-(7-butyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]propanoic acid
CID 142830310
5,7-dimethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135708002
2-(5-amino-2-ethoxyphenyl)-5-methyl-7-nonan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135698301
2-(3,4-dimethoxyphenyl)-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135553061
4-ethoxy-N-(2-hydroxyethyl)-3-(5-methyl-7-nonan-3-yl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 135769644
2-(4-bromophenyl)-7-cyclopentyl-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752606
4-ethoxy-3-(5-methyl-7-nonan-3-yl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 135769648
4-ethoxy-N-(3-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]-3-(5-methyl-7-nonan-3-yl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135769654

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-heptan-3-yl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 5-ethyl-7-heptan-3-yl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 135752609) is 5-ethyl-7-heptan-3-yl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 5-ethyl-7-heptan-3-yl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 5-ethyl-7-heptan-3-yl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is CCCCC(CC)c1nc(CC)c2c(=O)[nH]c(-c3ccccc3)nn12.
What is the InChIKey of 5-ethyl-7-heptan-3-yl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is FYJZHYMPFQHGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-7-11-14(5-2)19-21-16(6-3)17-20(25)22-18(23-24(17)19)15-12-9-8-10-13-15/h8-10,12-14H,4-7,11H2,1-3H3,(H,22,23,25).
What are the key properties of 5-ethyl-7-heptan-3-yl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
5-ethyl-7-heptan-3-yl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 338.45 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-heptan-3-yl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135752609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).