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

C20H20N4O3 — CID 51049294

IUPAC6-(4-methoxyphenyl)-3-(3-phenylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCOc1ccc(N2Cc3nc(=O)n(CCCc4ccccc4)n3C2=O)cc1
InChIInChI=1S/C20H20N4O3/c1-27-17-11-9-16(10-12-17)22-14-18-21-19(25)23(24(18)20(22)26)13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3
InChIKeyXZBHXTRUNHEOLP-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.67
Rot. Bonds6

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

6-(4-methoxyphenyl)-3-(3-phenylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 51049294) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-(3-phenylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-(3-phenylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID51049294
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name6-(4-methoxyphenyl)-3-(3-phenylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCOc1ccc(N2Cc3nc(=O)n(CCCc4ccccc4)n3C2=O)cc1
InChIInChI=1S/C20H20N4O3/c1-27-17-11-9-16(10-12-17)22-14-18-21-19(25)23(24(18)20(22)26)13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3
InChIKeyXZBHXTRUNHEOLP-UHFFFAOYSA-N
XLogP2.67
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Benzylureido-1,2-dihydro-2-(4-methoxyphenyl)-1,2,4-triazolo[4,3-a]quinoxalin-1-one
CID 44586254
8-Amino-6-(4-ethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 137637667
8-amino-2-(4-methoxyphenyl)-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
CID 137644190
2-(4-methoxyphenyl)-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8(2H,7H)-dione
CID 137644481
8-Amino-6-(4-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 137651319
8-Amino-6-(3-methoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 137659930
8-Amino-2-phenyl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 156017440
Urea, 1-(1-benzyl-3-pyrrolidinyl)-3-(p-methoxyphenyl)-
CID 209547
4-[4-(benzyloxy)phenyl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3418247
4-amino-2-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-5-(4-methylphenyl)-1,2,4-triazol-3-one
CID 42644201
8-(4-Methoxyphenyl)-3-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
CID 45486553
7-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134788354

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-(3-phenylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(4-methoxyphenyl)-3-(3-phenylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 51049294) is 6-(4-methoxyphenyl)-3-(3-phenylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-(3-phenylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(4-methoxyphenyl)-3-(3-phenylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is COc1ccc(N2Cc3nc(=O)n(CCCc4ccccc4)n3C2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-(3-phenylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is XZBHXTRUNHEOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-27-17-11-9-16(10-12-17)22-14-18-21-19(25)23(24(18)20(22)26)13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-3-(3-phenylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(4-methoxyphenyl)-3-(3-phenylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 364.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-(3-phenylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 51049294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).