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

C24H25N5O4 — CID 136645455

IUPAC4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]-N-hydroxybenzamide
SMILESCCCc1nc(C)c2c(=O)[nH]c(-c3cc(-c4ccc(C(=O)NO)cc4)ccc3OCC)nn12
InChIInChI=1S/C24H25N5O4/c1-4-6-20-25-14(3)21-24(31)26-22(27-29(20)21)18-13-17(11-12-19(18)33-5-2)15-7-9-16(10-8-15)23(30)28-32/h7-13,32H,4-6H2,1-3H3,(H,28,30)(H,26,27,31)
InChIKeyOQSYENMWQGYXMW-UHFFFAOYSA-N
MW447.50 g/mol
LogP3.53
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]-N-hydroxybenzamide

4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]-N-hydroxybenzamide (PubChem CID 136645455) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 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]-N-hydroxybenzamide.

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]-N-hydroxybenzamide
PubChem CID136645455
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]-N-hydroxybenzamide
SMILESCCCc1nc(C)c2c(=O)[nH]c(-c3cc(-c4ccc(C(=O)NO)cc4)ccc3OCC)nn12
InChIInChI=1S/C24H25N5O4/c1-4-6-20-25-14(3)21-24(31)26-22(27-29(20)21)18-13-17(11-12-19(18)33-5-2)15-7-9-16(10-8-15)23(30)28-32/h7-13,32H,4-6H2,1-3H3,(H,28,30)(H,26,27,31)
InChIKeyOQSYENMWQGYXMW-UHFFFAOYSA-N
XLogP3.53
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]-N-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-N-hydroxybenzamide?
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]-N-hydroxybenzamide (CID 136645455) is 4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]-N-hydroxybenzamide.
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]-N-hydroxybenzamide?
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]-N-hydroxybenzamide is CCCc1nc(C)c2c(=O)[nH]c(-c3cc(-c4ccc(C(=O)NO)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]-N-hydroxybenzamide?
The InChIKey is OQSYENMWQGYXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-4-6-20-25-14(3)21-24(31)26-22(27-29(20)21)18-13-17(11-12-19(18)33-5-2)15-7-9-16(10-8-15)23(30)28-32/h7-13,32H,4-6H2,1-3H3,(H,28,30)(H,26,27,31).
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]-N-hydroxybenzamide?
4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]-N-hydroxybenzamide has a molecular weight of 447.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 7 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]-N-hydroxybenzamide is sourced from PubChem (CID 136645455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).