6-phenyl-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

C13H14N4O2 — CID 155558178

IUPAC6-phenyl-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)n1c(=O)[nH]c2cn(-c3ccccc3)c(=O)n21
InChIInChI=1S/C13H14N4O2/c1-9(2)16-12(18)14-11-8-15(13(19)17(11)16)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,18)
InChIKeyCHTSSDUHTXKNMF-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.16
Rot. Bonds2

About 6-phenyl-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

6-phenyl-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 155558178) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-phenyl-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-phenyl-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID155558178
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-phenyl-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)n1c(=O)[nH]c2cn(-c3ccccc3)c(=O)n21
InChIInChI=1S/C13H14N4O2/c1-9(2)16-12(18)14-11-8-15(13(19)17(11)16)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,18)
InChIKeyCHTSSDUHTXKNMF-UHFFFAOYSA-N
XLogP1.16
TPSA64.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-phenyl-3-propan-2-yl-1H-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-phenyl-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-phenyl-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 155558178) is 6-phenyl-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-phenyl-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-phenyl-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is CC(C)n1c(=O)[nH]c2cn(-c3ccccc3)c(=O)n21.
What is the InChIKey of 6-phenyl-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is CHTSSDUHTXKNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9(2)16-12(18)14-11-8-15(13(19)17(11)16)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,18).
What are the key properties of 6-phenyl-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-phenyl-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 258.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 155558178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).