5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C18H22N4O — CID 135553063

IUPAC5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCC(CC)c1nc(C)c2c(=O)[nH]c(-c3ccc(C)cc3)nn12
InChIInChI=1S/C18H22N4O/c1-5-13(6-2)17-19-12(4)15-18(23)20-16(21-22(15)17)14-9-7-11(3)8-10-14/h7-10,13H,5-6H2,1-4H3,(H,20,21,23)
InChIKeyLAZRQIHHWMOXCS-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.61
Rot. Bonds4

About 5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 135553063) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID135553063
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCC(CC)c1nc(C)c2c(=O)[nH]c(-c3ccc(C)cc3)nn12
InChIInChI=1S/C18H22N4O/c1-5-13(6-2)17-19-12(4)15-18(23)20-16(21-22(15)17)14-9-7-11(3)8-10-14/h7-10,13H,5-6H2,1-4H3,(H,20,21,23)
InChIKeyLAZRQIHHWMOXCS-UHFFFAOYSA-N
XLogP3.61
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135553061
5-ethyl-7-heptan-3-yl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752609
5,7-dimethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135708002
N-(1,1-dihydroxyethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 139916571
N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135769894
4-ethoxy-N-ethyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-N-propylbenzenesulfonamide
CID 135738380
2-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135769472
4-ethoxy-N,N-bis(2-hydroxyethyl)-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135769686
7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752679
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-[2-ethoxy-5-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135552965
1-[3-(dimethylamino)propyl]-3-[4-ethoxy-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]-1-methylurea
CID 135698234

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 135553063) is 5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is CCC(CC)c1nc(C)c2c(=O)[nH]c(-c3ccc(C)cc3)nn12.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is LAZRQIHHWMOXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-5-13(6-2)17-19-12(4)15-18(23)20-16(21-22(15)17)14-9-7-11(3)8-10-14/h7-10,13H,5-6H2,1-4H3,(H,20,21,23).
What are the key properties of 5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 310.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135553063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).