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

C11H10N4O2 — CID 39040585

IUPAC6-(3-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCc1cccc(N2Cc3nc(=O)[nH]n3C2=O)c1
InChIInChI=1S/C11H10N4O2/c1-7-3-2-4-8(5-7)14-6-9-12-10(16)13-15(9)11(14)17/h2-5H,6H2,1H3,(H,13,16)
InChIKeyVIFNNRZUXLRGTR-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.87
Rot. Bonds1

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

6-(3-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 39040585) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 6-(3-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(3-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID39040585
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name6-(3-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCc1cccc(N2Cc3nc(=O)[nH]n3C2=O)c1
InChIInChI=1S/C11H10N4O2/c1-7-3-2-4-8(5-7)14-6-9-12-10(16)13-15(9)11(14)17/h2-5H,6H2,1H3,(H,13,16)
InChIKeyVIFNNRZUXLRGTR-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-(3-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(3-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 39040585) is 6-(3-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(3-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(3-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione is Cc1cccc(N2Cc3nc(=O)[nH]n3C2=O)c1.
What is the InChIKey of 6-(3-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is VIFNNRZUXLRGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-7-3-2-4-8(5-7)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-(3-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(3-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-(3-methylphenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 39040585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).