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

C16H11ClN4 — CID 86236093

IUPAC6-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1ccccc1-c1nnc2c3ccccc3c(Cl)nn12
InChIInChI=1S/C16H11ClN4/c1-10-6-2-3-7-11(10)15-18-19-16-13-9-5-4-8-12(13)14(17)20-21(15)16/h2-9H,1H3
InChIKeyXEQVYCJJKKGWLN-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.91
Rot. Bonds1

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

6-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 86236093) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 6-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID86236093
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name6-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1ccccc1-c1nnc2c3ccccc3c(Cl)nn12
InChIInChI=1S/C16H11ClN4/c1-10-6-2-3-7-11(10)15-18-19-16-13-9-5-4-8-12(13)14(17)20-21(15)16/h2-9H,1H3
InChIKeyXEQVYCJJKKGWLN-UHFFFAOYSA-N
XLogP3.91
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine 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 6-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine (CID 86236093) is 6-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine is Cc1ccccc1-c1nnc2c3ccccc3c(Cl)nn12.
What is the InChIKey of 6-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is XEQVYCJJKKGWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c1-10-6-2-3-7-11(10)15-18-19-16-13-9-5-4-8-12(13)14(17)20-21(15)16/h2-9H,1H3.
What are the key properties of 6-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
6-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 294.75 g/mol, XLogP of 3.91, 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-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 86236093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).