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

C17H12ClFN4O2 — CID 155541237

IUPAC6-(3-chlorophenyl)-3-[(3-fluorophenyl)methyl]-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESO=c1[nH]c2cn(-c3cccc(Cl)c3)c(=O)n2n1Cc1cccc(F)c1
InChIInChI=1S/C17H12ClFN4O2/c18-12-4-2-6-14(8-12)21-10-15-20-16(24)22(23(15)17(21)25)9-11-3-1-5-13(19)7-11/h1-8,10H,9H2,(H,20,24)
InChIKeyICPXGCKBYAOXAH-UHFFFAOYSA-N
MW358.76 g/mol
LogP2.42
Rot. Bonds3

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

6-(3-chlorophenyl)-3-[(3-fluorophenyl)methyl]-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 155541237) has the molecular formula C17H12ClFN4O2 and a molecular weight of 358.76 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-3-[(3-fluorophenyl)methyl]-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(3-chlorophenyl)-3-[(3-fluorophenyl)methyl]-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID155541237
Molecular FormulaC17H12ClFN4O2
Molecular Weight358.76 g/mol
Exact Mass358.06
IUPAC Name6-(3-chlorophenyl)-3-[(3-fluorophenyl)methyl]-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESO=c1[nH]c2cn(-c3cccc(Cl)c3)c(=O)n2n1Cc1cccc(F)c1
InChIInChI=1S/C17H12ClFN4O2/c18-12-4-2-6-14(8-12)21-10-15-20-16(24)22(23(15)17(21)25)9-11-3-1-5-13(19)7-11/h1-8,10H,9H2,(H,20,24)
InChIKeyICPXGCKBYAOXAH-UHFFFAOYSA-N
XLogP2.42
TPSA64.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.76
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-3-[(3-fluorophenyl)methyl]-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(3-chlorophenyl)-3-[(3-fluorophenyl)methyl]-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 155541237) is 6-(3-chlorophenyl)-3-[(3-fluorophenyl)methyl]-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(3-chlorophenyl)-3-[(3-fluorophenyl)methyl]-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(3-chlorophenyl)-3-[(3-fluorophenyl)methyl]-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is O=c1[nH]c2cn(-c3cccc(Cl)c3)c(=O)n2n1Cc1cccc(F)c1.
What is the InChIKey of 6-(3-chlorophenyl)-3-[(3-fluorophenyl)methyl]-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is ICPXGCKBYAOXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O2/c18-12-4-2-6-14(8-12)21-10-15-20-16(24)22(23(15)17(21)25)9-11-3-1-5-13(19)7-11/h1-8,10H,9H2,(H,20,24).
What are the key properties of 6-(3-chlorophenyl)-3-[(3-fluorophenyl)methyl]-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(3-chlorophenyl)-3-[(3-fluorophenyl)methyl]-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 358.76 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-3-[(3-fluorophenyl)methyl]-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 155541237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).