2,3-dihydrophthalazine

C8H8N2 — CID 18676598

IUPAC2,3-dihydrophthalazine
SMILESC1=c2ccccc2=CNN1
InChIInChI=1S/C8H8N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6,9-10H
InChIKeySEIZZTOCUDUQNV-UHFFFAOYSA-N
MW132.17 g/mol
LogP-0.73
Rot. Bonds

About 2,3-dihydrophthalazine

2,3-dihydrophthalazine (PubChem CID 18676598) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 2,3-dihydrophthalazine.

Molecular Properties

Compound Name2,3-dihydrophthalazine
PubChem CID18676598
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name2,3-dihydrophthalazine
SMILESC1=c2ccccc2=CNN1
InChIInChI=1S/C8H8N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6,9-10H
InChIKeySEIZZTOCUDUQNV-UHFFFAOYSA-N
XLogP-0.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrophthalazine?
The IUPAC name of 2,3-dihydrophthalazine (CID 18676598) is 2,3-dihydrophthalazine.
What is the SMILES notation for 2,3-dihydrophthalazine?
The canonical SMILES for 2,3-dihydrophthalazine is C1=c2ccccc2=CNN1.
What is the InChIKey of 2,3-dihydrophthalazine?
The InChIKey is SEIZZTOCUDUQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6,9-10H.
What are the key properties of 2,3-dihydrophthalazine?
2,3-dihydrophthalazine has a molecular weight of 132.17 g/mol, XLogP of -0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrophthalazine is sourced from PubChem (CID 18676598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).