2-pyridazin-3-ylpropanedinitrile

C7H4N4 — CID 119031553

IUPAC2-pyridazin-3-ylpropanedinitrile
SMILESN#CC(C#N)c1cccnn1
InChIInChI=1S/C7H4N4/c8-4-6(5-9)7-2-1-3-10-11-7/h1-3,6H
InChIKeyDUEYSRKGJZAKAV-UHFFFAOYSA-N
MW144.14 g/mol
LogP0.61
Rot. Bonds1

About 2-pyridazin-3-ylpropanedinitrile

2-pyridazin-3-ylpropanedinitrile (PubChem CID 119031553) has the molecular formula C7H4N4 and a molecular weight of 144.14 g/mol. Its IUPAC name is 2-pyridazin-3-ylpropanedinitrile.

Molecular Properties

Compound Name2-pyridazin-3-ylpropanedinitrile
PubChem CID119031553
Molecular FormulaC7H4N4
Molecular Weight144.14 g/mol
Exact Mass144.04
IUPAC Name2-pyridazin-3-ylpropanedinitrile
SMILESN#CC(C#N)c1cccnn1
InChIInChI=1S/C7H4N4/c8-4-6(5-9)7-2-1-3-10-11-7/h1-3,6H
InChIKeyDUEYSRKGJZAKAV-UHFFFAOYSA-N
XLogP0.61
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-ylpropanedinitrile?
The IUPAC name of 2-pyridazin-3-ylpropanedinitrile (CID 119031553) is 2-pyridazin-3-ylpropanedinitrile.
What is the SMILES notation for 2-pyridazin-3-ylpropanedinitrile?
The canonical SMILES for 2-pyridazin-3-ylpropanedinitrile is N#CC(C#N)c1cccnn1.
What is the InChIKey of 2-pyridazin-3-ylpropanedinitrile?
The InChIKey is DUEYSRKGJZAKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4/c8-4-6(5-9)7-2-1-3-10-11-7/h1-3,6H.
What are the key properties of 2-pyridazin-3-ylpropanedinitrile?
2-pyridazin-3-ylpropanedinitrile has a molecular weight of 144.14 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-ylpropanedinitrile is sourced from PubChem (CID 119031553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).