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

C17H14N4 — CID 938072

IUPAC6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1ccccc1-c1nnc2c3ccccc3c(C)nn12
InChIInChI=1S/C17H14N4/c1-11-7-3-4-8-13(11)16-18-19-17-15-10-6-5-9-14(15)12(2)20-21(16)17/h3-10H,1-2H3
InChIKeyOQXJVASYICLZEM-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.56
Rot. Bonds1

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

6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 938072) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID938072
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1ccccc1-c1nnc2c3ccccc3c(C)nn12
InChIInChI=1S/C17H14N4/c1-11-7-3-4-8-13(11)16-18-19-17-15-10-6-5-9-14(15)12(2)20-21(16)17/h3-10H,1-2H3
InChIKeyOQXJVASYICLZEM-UHFFFAOYSA-N
XLogP3.56
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine (CID 938072) is 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine is Cc1ccccc1-c1nnc2c3ccccc3c(C)nn12.
What is the InChIKey of 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is OQXJVASYICLZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-11-7-3-4-8-13(11)16-18-19-17-15-10-6-5-9-14(15)12(2)20-21(16)17/h3-10H,1-2H3.
What are the key properties of 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 274.33 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 938072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).