1,8a-dihydrophthalazine

C8H8N2 — CID 142619253

IUPAC1,8a-dihydrophthalazine
SMILESC1=CC2=CN=NCC2C=C1
InChIInChI=1S/C8H8N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-5,8H,6H2
InChIKeyPESCSLPSASHNAE-UHFFFAOYSA-N
MW132.17 g/mol
LogP2.08
Rot. Bonds

About 1,8a-dihydrophthalazine

1,8a-dihydrophthalazine (PubChem CID 142619253) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1,8a-dihydrophthalazine.

Molecular Properties

Compound Name1,8a-dihydrophthalazine
PubChem CID142619253
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name1,8a-dihydrophthalazine
SMILESC1=CC2=CN=NCC2C=C1
InChIInChI=1S/C8H8N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-5,8H,6H2
InChIKeyPESCSLPSASHNAE-UHFFFAOYSA-N
XLogP2.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8a-dihydrophthalazine?
The IUPAC name of 1,8a-dihydrophthalazine (CID 142619253) is 1,8a-dihydrophthalazine.
What is the SMILES notation for 1,8a-dihydrophthalazine?
The canonical SMILES for 1,8a-dihydrophthalazine is C1=CC2=CN=NCC2C=C1.
What is the InChIKey of 1,8a-dihydrophthalazine?
The InChIKey is PESCSLPSASHNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-5,8H,6H2.
What are the key properties of 1,8a-dihydrophthalazine?
1,8a-dihydrophthalazine has a molecular weight of 132.17 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8a-dihydrophthalazine is sourced from PubChem (CID 142619253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).