3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C18H16ClFN4 — CID 134789812

IUPAC3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(CN2CCn3c(nnc3-c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H16ClFN4/c19-15-5-3-14(4-6-15)18-22-21-17-12-23(9-10-24(17)18)11-13-1-7-16(20)8-2-13/h1-8H,9-12H2
InChIKeyUOEBKIWROUAXRF-UHFFFAOYSA-N
MW342.81 g/mol
LogP3.75
Rot. Bonds3

About 3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134789812) has the molecular formula C18H16ClFN4 and a molecular weight of 342.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134789812
Molecular FormulaC18H16ClFN4
Molecular Weight342.81 g/mol
Exact Mass342.10
IUPAC Name3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(CN2CCn3c(nnc3-c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H16ClFN4/c19-15-5-3-14(4-6-15)18-22-21-17-12-23(9-10-24(17)18)11-13-1-7-16(20)8-2-13/h1-8H,9-12H2
InChIKeyUOEBKIWROUAXRF-UHFFFAOYSA-N
XLogP3.75
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

Sodium 4-benzyl-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate
CID 23697615
3-(1-(4-chlorophenyl)cyclobutyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole
CID 10359991
3-(2-Chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole
CID 11587817
3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-phenyl-4H-1,2,4-triazole
CID 20724899
3-(1-(4-chlorophenyl)cyclobutyl)-5-(3-fluorophenyl)-4-methyl-4H-1,2,4-triazole
CID 20724903
1-[(4-Chlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole
CID 856003
3-(3,4-Dichlorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 1478284
3-(4-Chlorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 1487852
3-(2-Chlorophenyl)-4-methyl-5-phenyl-1,2,4-triazole
CID 44448687
3-(2-Chlorophenyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,2,4-triazole
CID 44448690
3-(4-Chloro-2-fluorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 44448711
3-(2,4-Dichlorophenyl)-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole
CID 44448713

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134789812) is 3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Fc1ccc(CN2CCn3c(nnc3-c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is UOEBKIWROUAXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4/c19-15-5-3-14(4-6-15)18-22-21-17-12-23(9-10-24(17)18)11-13-1-7-16(20)8-2-13/h1-8H,9-12H2.
What are the key properties of 3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 342.81 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134789812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).