6-(4-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione

C11H10N4O2 — CID 45494627

IUPAC6-(4-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCc1ccc(N2Cc3nc(=O)[nH]n3C2=O)cc1
InChIInChI=1S/C11H10N4O2/c1-7-2-4-8(5-3-7)14-6-9-12-10(16)13-15(9)11(14)17/h2-5H,6H2,1H3,(H,13,16)
InChIKeyOJCCKKSIGPIURA-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.87
Rot. Bonds1

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

6-(4-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 45494627) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 6-(4-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(4-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID45494627
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name6-(4-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCc1ccc(N2Cc3nc(=O)[nH]n3C2=O)cc1
InChIInChI=1S/C11H10N4O2/c1-7-2-4-8(5-3-7)14-6-9-12-10(16)13-15(9)11(14)17/h2-5H,6H2,1H3,(H,13,16)
InChIKeyOJCCKKSIGPIURA-UHFFFAOYSA-N
XLogP0.87
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(4-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 45494627) is 6-(4-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(4-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(4-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione is Cc1ccc(N2Cc3nc(=O)[nH]n3C2=O)cc1.
What is the InChIKey of 6-(4-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is OJCCKKSIGPIURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-7-2-4-8(5-3-7)14-6-9-12-10(16)13-15(9)11(14)17/h2-5H,6H2,1H3,(H,13,16).
What are the key properties of 6-(4-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(4-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 230.23 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 45494627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).