6-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine

C16H12N4 — CID 936322

IUPAC6-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C16H12N4/c1-11-13-9-5-6-10-14(13)16-18-17-15(20(16)19-11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyDXFQTINDZPBOJM-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.25
Rot. Bonds1

About 6-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine

6-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 936322) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID936322
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name6-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C16H12N4/c1-11-13-9-5-6-10-14(13)16-18-17-15(20(16)19-11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyDXFQTINDZPBOJM-UHFFFAOYSA-N
XLogP3.25
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine (CID 936322) is 6-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine is Cc1nn2c(-c3ccccc3)nnc2c2ccccc12.
What is the InChIKey of 6-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is DXFQTINDZPBOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-11-13-9-5-6-10-14(13)16-18-17-15(20(16)19-11)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 6-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
6-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 260.30 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 936322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).