3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile

C13H20N4 — CID 80510513

IUPAC3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile
SMILESCCCCN(c1nnccc1C#N)C(C)CC
InChIInChI=1S/C13H20N4/c1-4-6-9-17(11(3)5-2)13-12(10-14)7-8-15-16-13/h7-8,11H,4-6,9H2,1-3H3
InChIKeySXAHZBJLQPMMPB-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.75
Rot. Bonds6

About 3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile

3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile (PubChem CID 80510513) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile
PubChem CID80510513
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile
SMILESCCCCN(c1nnccc1C#N)C(C)CC
InChIInChI=1S/C13H20N4/c1-4-6-9-17(11(3)5-2)13-12(10-14)7-8-15-16-13/h7-8,11H,4-6,9H2,1-3H3
InChIKeySXAHZBJLQPMMPB-UHFFFAOYSA-N
XLogP2.75
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile (CID 80510513) is 3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile is CCCCN(c1nnccc1C#N)C(C)CC.
What is the InChIKey of 3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile?
The InChIKey is SXAHZBJLQPMMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-6-9-17(11(3)5-2)13-12(10-14)7-8-15-16-13/h7-8,11H,4-6,9H2,1-3H3.
What are the key properties of 3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile?
3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80510513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).