pyridazine-4-carbonitrile

C5H3N3 — CID 15781246

IUPACpyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1
InChIInChI=1S/C5H3N3/c6-3-5-1-2-7-8-4-5/h1-2,4H
InChIKeyQXOXHGUPISQLPW-UHFFFAOYSA-N
MW105.10 g/mol
LogP0.35
Rot. Bonds

About pyridazine-4-carbonitrile

pyridazine-4-carbonitrile (PubChem CID 15781246) has the molecular formula C5H3N3 and a molecular weight of 105.10 g/mol. Its IUPAC name is pyridazine-4-carbonitrile.

Molecular Properties

Compound Namepyridazine-4-carbonitrile
PubChem CID15781246
Molecular FormulaC5H3N3
Molecular Weight105.10 g/mol
Exact Mass105.03
IUPAC Namepyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1
InChIInChI=1S/C5H3N3/c6-3-5-1-2-7-8-4-5/h1-2,4H
InChIKeyQXOXHGUPISQLPW-UHFFFAOYSA-N
XLogP0.35
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.10
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridazine-4-carbonitrile?
The IUPAC name of pyridazine-4-carbonitrile (CID 15781246) is pyridazine-4-carbonitrile.
What is the SMILES notation for pyridazine-4-carbonitrile?
The canonical SMILES for pyridazine-4-carbonitrile is N#Cc1ccnnc1.
What is the InChIKey of pyridazine-4-carbonitrile?
The InChIKey is QXOXHGUPISQLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3/c6-3-5-1-2-7-8-4-5/h1-2,4H.
What are the key properties of pyridazine-4-carbonitrile?
pyridazine-4-carbonitrile has a molecular weight of 105.10 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazine-4-carbonitrile is sourced from PubChem (CID 15781246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).