4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide

C24H25N5O3 — CID 137136960

IUPAC4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide
SMILESCCCc1nc(C)c2c(=O)[nH]c(-c3cc(-c4ccc(C(N)=O)cc4)ccc3OCC)nn12
InChIInChI=1S/C24H25N5O3/c1-4-6-20-26-14(3)21-24(31)27-23(28-29(20)21)18-13-17(11-12-19(18)32-5-2)15-7-9-16(10-8-15)22(25)30/h7-13H,4-6H2,1-3H3,(H2,25,30)(H,27,28,31)
InChIKeySVBZLWKXQPLFPO-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.51
Rot. Bonds7

About 4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide

4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide (PubChem CID 137136960) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide
PubChem CID137136960
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide
SMILESCCCc1nc(C)c2c(=O)[nH]c(-c3cc(-c4ccc(C(N)=O)cc4)ccc3OCC)nn12
InChIInChI=1S/C24H25N5O3/c1-4-6-20-26-14(3)21-24(31)27-23(28-29(20)21)18-13-17(11-12-19(18)32-5-2)15-7-9-16(10-8-15)22(25)30/h7-13H,4-6H2,1-3H3,(H2,25,30)(H,27,28,31)
InChIKeySVBZLWKXQPLFPO-UHFFFAOYSA-N
XLogP3.51
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide?
The IUPAC name of 4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide (CID 137136960) is 4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide is CCCc1nc(C)c2c(=O)[nH]c(-c3cc(-c4ccc(C(N)=O)cc4)ccc3OCC)nn12.
What is the InChIKey of 4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide?
The InChIKey is SVBZLWKXQPLFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-4-6-20-26-14(3)21-24(31)27-23(28-29(20)21)18-13-17(11-12-19(18)32-5-2)15-7-9-16(10-8-15)22(25)30/h7-13H,4-6H2,1-3H3,(H2,25,30)(H,27,28,31).
What are the key properties of 4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide?
4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide has a molecular weight of 431.50 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide is sourced from PubChem (CID 137136960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).