6-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione

C11H10N4O3 — CID 155554829

IUPAC6-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione
SMILESCOc1ccc(-n2cc3[nH][nH]c(=O)n3c2=O)cc1
InChIInChI=1S/C11H10N4O3/c1-18-8-4-2-7(3-5-8)14-6-9-12-13-10(16)15(9)11(14)17/h2-6,12H,1H3,(H,13,16)
InChIKeyHZQUUMCGBPNZQI-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.12
Rot. Bonds2

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

6-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione (PubChem CID 155554829) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione
PubChem CID155554829
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name6-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione
SMILESCOc1ccc(-n2cc3[nH][nH]c(=O)n3c2=O)cc1
InChIInChI=1S/C11H10N4O3/c1-18-8-4-2-7(3-5-8)14-6-9-12-13-10(16)15(9)11(14)17/h2-6,12H,1H3,(H,13,16)
InChIKeyHZQUUMCGBPNZQI-UHFFFAOYSA-N
XLogP0.12
TPSA84.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione?
The IUPAC name of 6-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione (CID 155554829) is 6-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione.
What is the SMILES notation for 6-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione?
The canonical SMILES for 6-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione is COc1ccc(-n2cc3[nH][nH]c(=O)n3c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione?
The InChIKey is HZQUUMCGBPNZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-18-8-4-2-7(3-5-8)14-6-9-12-13-10(16)15(9)11(14)17/h2-6,12H,1H3,(H,13,16).
What are the key properties of 6-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione?
6-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione has a molecular weight of 246.23 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione is sourced from PubChem (CID 155554829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).