phthalazine

C8H6N2 — CID 9207

IUPACphthalazine
SMILESc1ccc2cnncc2c1
InChIInChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
InChIKeyLFSXCDWNBUNEEM-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.63
Rot. Bonds

About phthalazine

phthalazine (PubChem CID 9207) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is phthalazine.

Molecular Properties

Compound Namephthalazine
PubChem CID9207
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Namephthalazine
SMILESc1ccc2cnncc2c1
InChIInChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
InChIKeyLFSXCDWNBUNEEM-UHFFFAOYSA-N
XLogP1.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 phthalazine?
The IUPAC name of phthalazine (CID 9207) is phthalazine.
What is the SMILES notation for phthalazine?
The canonical SMILES for phthalazine is c1ccc2cnncc2c1.
What is the InChIKey of phthalazine?
The InChIKey is LFSXCDWNBUNEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H.
What are the key properties of phthalazine?
phthalazine has a molecular weight of 130.15 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phthalazine is sourced from PubChem (CID 9207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).