1-benzylphthalazine

C15H12N2 — CID 613038

IUPAC1-benzylphthalazine
SMILESc1ccc(Cc2nncc3ccccc23)cc1
InChIInChI=1S/C15H12N2/c1-2-6-12(7-3-1)10-15-14-9-5-4-8-13(14)11-16-17-15/h1-9,11H,10H2
InChIKeyVQPBLPKQGMFEEB-UHFFFAOYSA-N
MW220.28 g/mol
LogP3.22
Rot. Bonds2

About 1-benzylphthalazine

1-benzylphthalazine (PubChem CID 613038) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-benzylphthalazine.

Molecular Properties

Compound Name1-benzylphthalazine
PubChem CID613038
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name1-benzylphthalazine
SMILESc1ccc(Cc2nncc3ccccc23)cc1
InChIInChI=1S/C15H12N2/c1-2-6-12(7-3-1)10-15-14-9-5-4-8-13(14)11-16-17-15/h1-9,11H,10H2
InChIKeyVQPBLPKQGMFEEB-UHFFFAOYSA-N
XLogP3.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzylphthalazine?
The IUPAC name of 1-benzylphthalazine (CID 613038) is 1-benzylphthalazine.
What is the SMILES notation for 1-benzylphthalazine?
The canonical SMILES for 1-benzylphthalazine is c1ccc(Cc2nncc3ccccc23)cc1.
What is the InChIKey of 1-benzylphthalazine?
The InChIKey is VQPBLPKQGMFEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c1-2-6-12(7-3-1)10-15-14-9-5-4-8-13(14)11-16-17-15/h1-9,11H,10H2.
What are the key properties of 1-benzylphthalazine?
1-benzylphthalazine has a molecular weight of 220.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylphthalazine is sourced from PubChem (CID 613038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).