pyridazine

C4H4N2 — CID 9259

IUPACpyridazine
SMILESc1ccnnc1
InChIInChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H
InChIKeyPBMFSQRYOILNGV-UHFFFAOYSA-N
MW80.09 g/mol
LogP0.48
Rot. Bonds

About pyridazine

pyridazine (PubChem CID 9259) has the molecular formula C4H4N2 and a molecular weight of 80.09 g/mol. Its IUPAC name is pyridazine.

Molecular Properties

Compound Namepyridazine
PubChem CID9259
Molecular FormulaC4H4N2
Molecular Weight80.09 g/mol
Exact Mass80.04
IUPAC Namepyridazine
SMILESc1ccnnc1
InChIInChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H
InChIKeyPBMFSQRYOILNGV-UHFFFAOYSA-N
XLogP0.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.09
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylpyridazine
CID 136882
Aminopyridazine
CID 230373
3-Chloropyridazine
CID 11274989
4-Pyridazinemethanamine
CID 15034997
4-Aminopyridazine
CID 298492
Pyridazine 1-oxide
CID 137016
3-Bromopyridazine
CID 13126699
3-(Tributylstannanyl)pyridazine
CID 2763260
4-(Tributylstannyl)pyridazine
CID 6409733
3-Iodopyridazine
CID 11298682
Pyridazine-4-carbonitrile
CID 15781246
4-Bromopyridazine
CID 17888927

Frequently Asked Questions

What is the IUPAC name of pyridazine?
The IUPAC name of pyridazine (CID 9259) is pyridazine.
What is the SMILES notation for pyridazine?
The canonical SMILES for pyridazine is c1ccnnc1.
What is the InChIKey of pyridazine?
The InChIKey is PBMFSQRYOILNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H.
What are the key properties of pyridazine?
pyridazine has a molecular weight of 80.09 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazine is sourced from PubChem (CID 9259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).