6-oxopyridazine-1-carbonitrile

C5H3N3O — CID 87149145

IUPAC6-oxopyridazine-1-carbonitrile
SMILESN#Cn1ncccc1=O
InChIInChI=1S/C5H3N3O/c6-4-8-5(9)2-1-3-7-8/h1-3H
InChIKeyIQZILAZLZMOVII-UHFFFAOYSA-N
MW121.10 g/mol
LogP-0.43
Rot. Bonds

About 6-oxopyridazine-1-carbonitrile

6-oxopyridazine-1-carbonitrile (PubChem CID 87149145) has the molecular formula C5H3N3O and a molecular weight of 121.10 g/mol. Its IUPAC name is 6-oxopyridazine-1-carbonitrile.

Molecular Properties

Compound Name6-oxopyridazine-1-carbonitrile
PubChem CID87149145
Molecular FormulaC5H3N3O
Molecular Weight121.10 g/mol
Exact Mass121.03
IUPAC Name6-oxopyridazine-1-carbonitrile
SMILESN#Cn1ncccc1=O
InChIInChI=1S/C5H3N3O/c6-4-8-5(9)2-1-3-7-8/h1-3H
InChIKeyIQZILAZLZMOVII-UHFFFAOYSA-N
XLogP-0.43
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.10
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxopyridazine-1-carbonitrile?
The IUPAC name of 6-oxopyridazine-1-carbonitrile (CID 87149145) is 6-oxopyridazine-1-carbonitrile.
What is the SMILES notation for 6-oxopyridazine-1-carbonitrile?
The canonical SMILES for 6-oxopyridazine-1-carbonitrile is N#Cn1ncccc1=O.
What is the InChIKey of 6-oxopyridazine-1-carbonitrile?
The InChIKey is IQZILAZLZMOVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O/c6-4-8-5(9)2-1-3-7-8/h1-3H.
What are the key properties of 6-oxopyridazine-1-carbonitrile?
6-oxopyridazine-1-carbonitrile has a molecular weight of 121.10 g/mol, XLogP of -0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxopyridazine-1-carbonitrile is sourced from PubChem (CID 87149145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).