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

C18H17FN4 — CID 134795339

IUPAC7-[(4-fluorophenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(CN2CCn3c(nnc3-c3ccccc3)C2)cc1
InChIInChI=1S/C18H17FN4/c19-16-8-6-14(7-9-16)12-22-10-11-23-17(13-22)20-21-18(23)15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeyMXFNZGNIXZLRAN-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.10
Rot. Bonds3

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

7-[(4-fluorophenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134795339) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134795339
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name7-[(4-fluorophenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(CN2CCn3c(nnc3-c3ccccc3)C2)cc1
InChIInChI=1S/C18H17FN4/c19-16-8-6-14(7-9-16)12-22-10-11-23-17(13-22)20-21-18(23)15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeyMXFNZGNIXZLRAN-UHFFFAOYSA-N
XLogP3.10
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134795339) is 7-[(4-fluorophenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Fc1ccc(CN2CCn3c(nnc3-c3ccccc3)C2)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is MXFNZGNIXZLRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c19-16-8-6-14(7-9-16)12-22-10-11-23-17(13-22)20-21-18(23)15-4-2-1-3-5-15/h1-9H,10-13H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(4-fluorophenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 308.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134795339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).