1-benzyl-1,2-dihydrophthalazine

C15H14N2 — CID 66573450

IUPAC1-benzyl-1,2-dihydrophthalazine
SMILESC1=NNC(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C15H14N2/c1-2-6-12(7-3-1)10-15-14-9-5-4-8-13(14)11-16-17-15/h1-9,11,15,17H,10H2
InChIKeyMXLOUOCGWZNAET-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.91
Rot. Bonds2

About 1-benzyl-1,2-dihydrophthalazine

1-benzyl-1,2-dihydrophthalazine (PubChem CID 66573450) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-benzyl-1,2-dihydrophthalazine.

Molecular Properties

Compound Name1-benzyl-1,2-dihydrophthalazine
PubChem CID66573450
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name1-benzyl-1,2-dihydrophthalazine
SMILESC1=NNC(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C15H14N2/c1-2-6-12(7-3-1)10-15-14-9-5-4-8-13(14)11-16-17-15/h1-9,11,15,17H,10H2
InChIKeyMXLOUOCGWZNAET-UHFFFAOYSA-N
XLogP2.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1,2-dihydrophthalazine?
The IUPAC name of 1-benzyl-1,2-dihydrophthalazine (CID 66573450) is 1-benzyl-1,2-dihydrophthalazine.
What is the SMILES notation for 1-benzyl-1,2-dihydrophthalazine?
The canonical SMILES for 1-benzyl-1,2-dihydrophthalazine is C1=NNC(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzyl-1,2-dihydrophthalazine?
The InChIKey is MXLOUOCGWZNAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-2-6-12(7-3-1)10-15-14-9-5-4-8-13(14)11-16-17-15/h1-9,11,15,17H,10H2.
What are the key properties of 1-benzyl-1,2-dihydrophthalazine?
1-benzyl-1,2-dihydrophthalazine has a molecular weight of 222.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1,2-dihydrophthalazine is sourced from PubChem (CID 66573450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).