3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile

C9H10N4 — CID 131246897

IUPAC3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile
SMILESC/C=C/CNc1nnccc1C#N
InChIInChI=1S/C9H10N4/c1-2-3-5-11-9-8(7-10)4-6-12-13-9/h2-4,6H,5H2,1H3,(H,11,13)/b3-2+
InChIKeyZUIWAPYAGYIOEF-NSCUHMNNSA-N
MW174.21 g/mol
LogP1.34
Rot. Bonds3

About 3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile

3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile (PubChem CID 131246897) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile
PubChem CID131246897
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile
SMILESC/C=C/CNc1nnccc1C#N
InChIInChI=1S/C9H10N4/c1-2-3-5-11-9-8(7-10)4-6-12-13-9/h2-4,6H,5H2,1H3,(H,11,13)/b3-2+
InChIKeyZUIWAPYAGYIOEF-NSCUHMNNSA-N
XLogP1.34
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile (CID 131246897) is 3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile is C/C=C/CNc1nnccc1C#N.
What is the InChIKey of 3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile?
The InChIKey is ZUIWAPYAGYIOEF-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H10N4/c1-2-3-5-11-9-8(7-10)4-6-12-13-9/h2-4,6H,5H2,1H3,(H,11,13)/b3-2+.
What are the key properties of 3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile?
3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile has a molecular weight of 174.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 131246897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).