6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

C12H12N4O3 — CID 16767058

IUPAC6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCOc1ccc(N2Cc3nc(=O)n(C)n3C2=O)cc1
InChIInChI=1S/C12H12N4O3/c1-14-11(17)13-10-7-15(12(18)16(10)14)8-3-5-9(19-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyIKLRZPDPBQXIDR-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.58
Rot. Bonds2

About 6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 16767058) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID16767058
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCOc1ccc(N2Cc3nc(=O)n(C)n3C2=O)cc1
InChIInChI=1S/C12H12N4O3/c1-14-11(17)13-10-7-15(12(18)16(10)14)8-3-5-9(19-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyIKLRZPDPBQXIDR-UHFFFAOYSA-N
XLogP0.58
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 16767058) is 6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is COc1ccc(N2Cc3nc(=O)n(C)n3C2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is IKLRZPDPBQXIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-14-11(17)13-10-7-15(12(18)16(10)14)8-3-5-9(19-2)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 260.25 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 16767058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).