6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine

C15H8ClFN4 — CID 86236091

IUPAC6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESFc1ccccc1-c1nnc2c3ccccc3c(Cl)nn12
InChIInChI=1S/C15H8ClFN4/c16-13-9-5-1-2-6-10(9)14-18-19-15(21(14)20-13)11-7-3-4-8-12(11)17/h1-8H
InChIKeyIDQYBFBAHNBSCY-UHFFFAOYSA-N
MW298.71 g/mol
LogP3.74
Rot. Bonds1

About 6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine

6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 86236091) has the molecular formula C15H8ClFN4 and a molecular weight of 298.71 g/mol. Its IUPAC name is 6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID86236091
Molecular FormulaC15H8ClFN4
Molecular Weight298.71 g/mol
Exact Mass298.04
IUPAC Name6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESFc1ccccc1-c1nnc2c3ccccc3c(Cl)nn12
InChIInChI=1S/C15H8ClFN4/c16-13-9-5-1-2-6-10(9)14-18-19-15(21(14)20-13)11-7-3-4-8-12(11)17/h1-8H
InChIKeyIDQYBFBAHNBSCY-UHFFFAOYSA-N
XLogP3.74
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine (CID 86236091) is 6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine is Fc1ccccc1-c1nnc2c3ccccc3c(Cl)nn12.
What is the InChIKey of 6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is IDQYBFBAHNBSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFN4/c16-13-9-5-1-2-6-10(9)14-18-19-15(21(14)20-13)11-7-3-4-8-12(11)17/h1-8H.
What are the key properties of 6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 298.71 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 86236091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).