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

C11H10N4O2 — CID 155558149

IUPAC6-(4-methylphenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCc1ccc(-n2cc3[nH]c(=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/h2-6H,1H3,(H2,12,13,16)
InChIKeyPPXABMSLILVQQS-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.42
Rot. Bonds1

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

6-(4-methylphenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 155558149) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 6-(4-methylphenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(4-methylphenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID155558149
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name6-(4-methylphenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCc1ccc(-n2cc3[nH]c(=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/h2-6H,1H3,(H2,12,13,16)
InChIKeyPPXABMSLILVQQS-UHFFFAOYSA-N
XLogP0.42
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(4-methylphenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 155558149) is 6-(4-methylphenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(4-methylphenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(4-methylphenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione is Cc1ccc(-n2cc3[nH]c(=O)[nH]n3c2=O)cc1.
What is the InChIKey of 6-(4-methylphenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is PPXABMSLILVQQS-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/h2-6H,1H3,(H2,12,13,16).
What are the key properties of 6-(4-methylphenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(4-methylphenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 230.23 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 155558149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).