5,6,7,8-tetrahydrophthalazine-1,4-dione

C8H8N2O2 — CID 78176786

IUPAC5,6,7,8-tetrahydrophthalazine-1,4-dione
SMILESO=C1N=NC(=O)C2=C1CCCC2
InChIInChI=1S/C8H8N2O2/c11-7-5-3-1-2-4-6(5)8(12)10-9-7/h1-4H2
InChIKeyDVMQMAJYNQLBIC-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.38
Rot. Bonds

About 5,6,7,8-tetrahydrophthalazine-1,4-dione

5,6,7,8-tetrahydrophthalazine-1,4-dione (PubChem CID 78176786) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 5,6,7,8-tetrahydrophthalazine-1,4-dione.

Molecular Properties

Compound Name5,6,7,8-tetrahydrophthalazine-1,4-dione
PubChem CID78176786
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name5,6,7,8-tetrahydrophthalazine-1,4-dione
SMILESO=C1N=NC(=O)C2=C1CCCC2
InChIInChI=1S/C8H8N2O2/c11-7-5-3-1-2-4-6(5)8(12)10-9-7/h1-4H2
InChIKeyDVMQMAJYNQLBIC-UHFFFAOYSA-N
XLogP1.38
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydrophthalazine-1,4-dione?
The IUPAC name of 5,6,7,8-tetrahydrophthalazine-1,4-dione (CID 78176786) is 5,6,7,8-tetrahydrophthalazine-1,4-dione.
What is the SMILES notation for 5,6,7,8-tetrahydrophthalazine-1,4-dione?
The canonical SMILES for 5,6,7,8-tetrahydrophthalazine-1,4-dione is O=C1N=NC(=O)C2=C1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydrophthalazine-1,4-dione?
The InChIKey is DVMQMAJYNQLBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-7-5-3-1-2-4-6(5)8(12)10-9-7/h1-4H2.
What are the key properties of 5,6,7,8-tetrahydrophthalazine-1,4-dione?
5,6,7,8-tetrahydrophthalazine-1,4-dione has a molecular weight of 164.16 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydrophthalazine-1,4-dione is sourced from PubChem (CID 78176786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).