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

C12H12BrFN4 — CID 63587214

IUPAC7-[(2-bromo-4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(CN2CCn3cnnc3C2)c(Br)c1
InChIInChI=1S/C12H12BrFN4/c13-11-5-10(14)2-1-9(11)6-17-3-4-18-8-15-16-12(18)7-17/h1-2,5,8H,3-4,6-7H2
InChIKeyLHNLTBNLBCGQGU-UHFFFAOYSA-N
MW311.16 g/mol
LogP2.20
Rot. Bonds2

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

7-[(2-bromo-4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 63587214) has the molecular formula C12H12BrFN4 and a molecular weight of 311.16 g/mol. Its IUPAC name is 7-[(2-bromo-4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(2-bromo-4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID63587214
Molecular FormulaC12H12BrFN4
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name7-[(2-bromo-4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(CN2CCn3cnnc3C2)c(Br)c1
InChIInChI=1S/C12H12BrFN4/c13-11-5-10(14)2-1-9(11)6-17-3-4-18-8-15-16-12(18)7-17/h1-2,5,8H,3-4,6-7H2
InChIKeyLHNLTBNLBCGQGU-UHFFFAOYSA-N
XLogP2.20
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[(2-bromo-4-fluorophenyl)methyl]-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-[(2-bromo-4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(2-bromo-4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 63587214) is 7-[(2-bromo-4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(2-bromo-4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(2-bromo-4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Fc1ccc(CN2CCn3cnnc3C2)c(Br)c1.
What is the InChIKey of 7-[(2-bromo-4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is LHNLTBNLBCGQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4/c13-11-5-10(14)2-1-9(11)6-17-3-4-18-8-15-16-12(18)7-17/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 7-[(2-bromo-4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(2-bromo-4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 311.16 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-bromo-4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 63587214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).