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

C19H24N4O3 — CID 135553061

IUPAC2-(3,4-dimethoxyphenyl)-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCC(CC)c1nc(C)c2c(=O)[nH]c(-c3ccc(OC)c(OC)c3)nn12
InChIInChI=1S/C19H24N4O3/c1-6-12(7-2)18-20-11(3)16-19(24)21-17(22-23(16)18)13-8-9-14(25-4)15(10-13)26-5/h8-10,12H,6-7H2,1-5H3,(H,21,22,24)
InChIKeyAJWLCGXGSULCDT-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.31
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 135553061) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID135553061
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-(3,4-dimethoxyphenyl)-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCC(CC)c1nc(C)c2c(=O)[nH]c(-c3ccc(OC)c(OC)c3)nn12
InChIInChI=1S/C19H24N4O3/c1-6-12(7-2)18-20-11(3)16-19(24)21-17(22-23(16)18)13-8-9-14(25-4)15(10-13)26-5/h8-10,12H,6-7H2,1-5H3,(H,21,22,24)
InChIKeyAJWLCGXGSULCDT-UHFFFAOYSA-N
XLogP3.31
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 135553061) is 2-(3,4-dimethoxyphenyl)-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-methyl-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(OC)c(OC)c3)nn12.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is AJWLCGXGSULCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-6-12(7-2)18-20-11(3)16-19(24)21-17(22-23(16)18)13-8-9-14(25-4)15(10-13)26-5/h8-10,12H,6-7H2,1-5H3,(H,21,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
2-(3,4-dimethoxyphenyl)-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 356.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-methyl-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135553061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).