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

C17H12ClFN4O2 — CID 16767049

IUPAC6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESO=C1N(c2ccc(Cl)cc2)Cc2nc(=O)n(Cc3ccccc3F)n21
InChIInChI=1S/C17H12ClFN4O2/c18-12-5-7-13(8-6-12)21-10-15-20-16(24)22(23(15)17(21)25)9-11-3-1-2-4-14(11)19/h1-8H,9-10H2
InChIKeyJQSXWCVPKDSJEF-UHFFFAOYSA-N
MW358.76 g/mol
LogP2.87
Rot. Bonds3

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

6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 16767049) has the molecular formula C17H12ClFN4O2 and a molecular weight of 358.76 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID16767049
Molecular FormulaC17H12ClFN4O2
Molecular Weight358.76 g/mol
Exact Mass358.06
IUPAC Name6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESO=C1N(c2ccc(Cl)cc2)Cc2nc(=O)n(Cc3ccccc3F)n21
InChIInChI=1S/C17H12ClFN4O2/c18-12-5-7-13(8-6-12)21-10-15-20-16(24)22(23(15)17(21)25)9-11-3-1-2-4-14(11)19/h1-8H,9-10H2
InChIKeyJQSXWCVPKDSJEF-UHFFFAOYSA-N
XLogP2.87
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.76
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-chlorophenyl)-3-ethyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 45492457
3-(3-methylbut-2-enyl)-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 51048480
6-(4-methoxyphenyl)-3-(3-phenylpropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 51049294
1-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46048883
9-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 16626360
methyl 2-[6-(3-methylphenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]acetate
CID 39337051
3-(4-chlorophenyl)-1-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 22423455
4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 2736823
4-[(4-chlorophenyl)methyl]-2-[(2-fluorophenyl)methyl]phthalazin-1-one
CID 166444012
5-[(4-chlorophenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,1-dioxo-3H-1λ6,2,5-benzothiadiazepin-4-one
CID 20970942
6-(3-chlorophenyl)-2-[(2-fluorophenyl)methyl]-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4896400
3-(2,6-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,3-diazinan-4-one
CID 69457925

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 16767049) is 6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is O=C1N(c2ccc(Cl)cc2)Cc2nc(=O)n(Cc3ccccc3F)n21.
What is the InChIKey of 6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is JQSXWCVPKDSJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O2/c18-12-5-7-13(8-6-12)21-10-15-20-16(24)22(23(15)17(21)25)9-11-3-1-2-4-14(11)19/h1-8H,9-10H2.
What are the key properties of 6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 358.76 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 16767049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).