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

C14H14N4O4 — CID 45496212

IUPAC6-(3-methoxyphenyl)-3-(2-oxopropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCOc1cccc(N2Cc3nc(=O)n(CC(C)=O)n3C2=O)c1
InChIInChI=1S/C14H14N4O4/c1-9(19)7-17-13(20)15-12-8-16(14(21)18(12)17)10-4-3-5-11(6-10)22-2/h3-6H,7-8H2,1-2H3
InChIKeyJVFJWLKOADWAME-UHFFFAOYSA-N
MW302.29 g/mol
LogP0.63
Rot. Bonds4

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

6-(3-methoxyphenyl)-3-(2-oxopropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 45496212) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-3-(2-oxopropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-3-(2-oxopropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID45496212
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name6-(3-methoxyphenyl)-3-(2-oxopropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCOc1cccc(N2Cc3nc(=O)n(CC(C)=O)n3C2=O)c1
InChIInChI=1S/C14H14N4O4/c1-9(19)7-17-13(20)15-12-8-16(14(21)18(12)17)10-4-3-5-11(6-10)22-2/h3-6H,7-8H2,1-2H3
InChIKeyJVFJWLKOADWAME-UHFFFAOYSA-N
XLogP0.63
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 52897925
methyl 2-[6-(3-methylphenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]acetate
CID 39337051
4-[[6-(3-methoxyphenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]methyl]benzonitrile
CID 52900785
3-cyclopentyl-6-(3-methoxyphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 45494867
6-(4-methoxyphenyl)-3-prop-2-ynyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 39337508
2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]acetonitrile
CID 39347906
N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide
CID 51049188
2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 51052499
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 51138342
6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 45492457
4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 70779297
1-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)imidazolidin-2-one
CID 20740841

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-3-(2-oxopropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(3-methoxyphenyl)-3-(2-oxopropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 45496212) is 6-(3-methoxyphenyl)-3-(2-oxopropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(3-methoxyphenyl)-3-(2-oxopropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(3-methoxyphenyl)-3-(2-oxopropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is COc1cccc(N2Cc3nc(=O)n(CC(C)=O)n3C2=O)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-3-(2-oxopropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is JVFJWLKOADWAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-9(19)7-17-13(20)15-12-8-16(14(21)18(12)17)10-4-3-5-11(6-10)22-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 6-(3-methoxyphenyl)-3-(2-oxopropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(3-methoxyphenyl)-3-(2-oxopropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 302.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-3-(2-oxopropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 45496212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).