6-phenyl-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione

C10H8N4O2 — CID 16767041

IUPAC6-phenyl-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESO=C1N(c2ccccc2)Cc2nc(=O)[nH]n21
InChIInChI=1S/C10H8N4O2/c15-9-11-8-6-13(10(16)14(8)12-9)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,15)
InChIKeyQXMVLEBCJBIDGF-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.56
Rot. Bonds1

About 6-phenyl-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione

6-phenyl-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 16767041) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 6-phenyl-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-phenyl-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID16767041
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name6-phenyl-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESO=C1N(c2ccccc2)Cc2nc(=O)[nH]n21
InChIInChI=1S/C10H8N4O2/c15-9-11-8-6-13(10(16)14(8)12-9)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,15)
InChIKeyQXMVLEBCJBIDGF-UHFFFAOYSA-N
XLogP0.56
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-phenyl-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 16767041) is 6-phenyl-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-phenyl-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-phenyl-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione is O=C1N(c2ccccc2)Cc2nc(=O)[nH]n21.
What is the InChIKey of 6-phenyl-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is QXMVLEBCJBIDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c15-9-11-8-6-13(10(16)14(8)12-9)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,15).
What are the key properties of 6-phenyl-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-phenyl-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 216.20 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 16767041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).