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

C18H15FN4O2 — CID 39314601

IUPAC3-[(3-fluorophenyl)methyl]-6-(3-methylphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCc1cccc(N2Cc3nc(=O)n(Cc4cccc(F)c4)n3C2=O)c1
InChIInChI=1S/C18H15FN4O2/c1-12-4-2-7-15(8-12)21-11-16-20-17(24)22(23(16)18(21)25)10-13-5-3-6-14(19)9-13/h2-9H,10-11H2,1H3
InChIKeyGZEUZFRNSVZORP-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.53
Rot. Bonds3

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

3-[(3-fluorophenyl)methyl]-6-(3-methylphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 39314601) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-6-(3-methylphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-6-(3-methylphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID39314601
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name3-[(3-fluorophenyl)methyl]-6-(3-methylphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCc1cccc(N2Cc3nc(=O)n(Cc4cccc(F)c4)n3C2=O)c1
InChIInChI=1S/C18H15FN4O2/c1-12-4-2-7-15(8-12)21-11-16-20-17(24)22(23(16)18(21)25)10-13-5-3-6-14(19)9-13/h2-9H,10-11H2,1H3
InChIKeyGZEUZFRNSVZORP-UHFFFAOYSA-N
XLogP2.53
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-6-(3-methylphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-6-(3-methylphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 39314601) is 3-[(3-fluorophenyl)methyl]-6-(3-methylphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-6-(3-methylphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-6-(3-methylphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is Cc1cccc(N2Cc3nc(=O)n(Cc4cccc(F)c4)n3C2=O)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-6-(3-methylphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is GZEUZFRNSVZORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-12-4-2-7-15(8-12)21-11-16-20-17(24)22(23(16)18(21)25)10-13-5-3-6-14(19)9-13/h2-9H,10-11H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-6-(3-methylphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
3-[(3-fluorophenyl)methyl]-6-(3-methylphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 338.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-6-(3-methylphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 39314601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).