6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

C16H20N4O3 — CID 52897925

IUPAC6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCOc1cccc(N2Cc3nc(=O)n(CCC(C)C)n3C2=O)c1
InChIInChI=1S/C16H20N4O3/c1-11(2)7-8-19-15(21)17-14-10-18(16(22)20(14)19)12-5-4-6-13(9-12)23-3/h4-6,9,11H,7-8,10H2,1-3H3
InChIKeyMWRQWZDNQMMTCO-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.09
Rot. Bonds5

About 6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 52897925) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID52897925
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCOc1cccc(N2Cc3nc(=O)n(CCC(C)C)n3C2=O)c1
InChIInChI=1S/C16H20N4O3/c1-11(2)7-8-19-15(21)17-14-10-18(16(22)20(14)19)12-5-4-6-13(9-12)23-3/h4-6,9,11H,7-8,10H2,1-3H3
InChIKeyMWRQWZDNQMMTCO-UHFFFAOYSA-N
XLogP2.09
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione 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 6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 52897925) is 6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is COc1cccc(N2Cc3nc(=O)n(CCC(C)C)n3C2=O)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is MWRQWZDNQMMTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11(2)7-8-19-15(21)17-14-10-18(16(22)20(14)19)12-5-4-6-13(9-12)23-3/h4-6,9,11H,7-8,10H2,1-3H3.
What are the key properties of 6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 316.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 52897925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).