1-ethyl-6-oxopyridazine-4,5-dicarbonitrile

C8H6N4O — CID 19081369

IUPAC1-ethyl-6-oxopyridazine-4,5-dicarbonitrile
SMILESCCn1ncc(C#N)c(C#N)c1=O
InChIInChI=1S/C8H6N4O/c1-2-12-8(13)7(4-10)6(3-9)5-11-12/h5H,2H2,1H3
InChIKeyRJQVFMBZVNUMFH-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.01
Rot. Bonds1

About 1-ethyl-6-oxopyridazine-4,5-dicarbonitrile

1-ethyl-6-oxopyridazine-4,5-dicarbonitrile (PubChem CID 19081369) has the molecular formula C8H6N4O and a molecular weight of 174.16 g/mol. Its IUPAC name is 1-ethyl-6-oxopyridazine-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-ethyl-6-oxopyridazine-4,5-dicarbonitrile
PubChem CID19081369
Molecular FormulaC8H6N4O
Molecular Weight174.16 g/mol
Exact Mass174.05
IUPAC Name1-ethyl-6-oxopyridazine-4,5-dicarbonitrile
SMILESCCn1ncc(C#N)c(C#N)c1=O
InChIInChI=1S/C8H6N4O/c1-2-12-8(13)7(4-10)6(3-9)5-11-12/h5H,2H2,1H3
InChIKeyRJQVFMBZVNUMFH-UHFFFAOYSA-N
XLogP0.01
TPSA82.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-6-oxopyridazine-4,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-oxopyridazine-4,5-dicarbonitrile?
The IUPAC name of 1-ethyl-6-oxopyridazine-4,5-dicarbonitrile (CID 19081369) is 1-ethyl-6-oxopyridazine-4,5-dicarbonitrile.
What is the SMILES notation for 1-ethyl-6-oxopyridazine-4,5-dicarbonitrile?
The canonical SMILES for 1-ethyl-6-oxopyridazine-4,5-dicarbonitrile is CCn1ncc(C#N)c(C#N)c1=O.
What is the InChIKey of 1-ethyl-6-oxopyridazine-4,5-dicarbonitrile?
The InChIKey is RJQVFMBZVNUMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O/c1-2-12-8(13)7(4-10)6(3-9)5-11-12/h5H,2H2,1H3.
What are the key properties of 1-ethyl-6-oxopyridazine-4,5-dicarbonitrile?
1-ethyl-6-oxopyridazine-4,5-dicarbonitrile has a molecular weight of 174.16 g/mol, XLogP of 0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-oxopyridazine-4,5-dicarbonitrile is sourced from PubChem (CID 19081369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).