6-[(3-methylazetidin-3-yl)amino]pyridazine-4-carbonitrile

C9H11N5 — CID 131001598

IUPAC6-[(3-methylazetidin-3-yl)amino]pyridazine-4-carbonitrile
SMILESCC1(Nc2cc(C#N)cnn2)CNC1
InChIInChI=1S/C9H11N5/c1-9(5-11-6-9)13-8-2-7(3-10)4-12-14-8/h2,4,11H,5-6H2,1H3,(H,13,14)
InChIKeyYNWZHCGEQDGXGI-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.12
Rot. Bonds2

About 6-[(3-methylazetidin-3-yl)amino]pyridazine-4-carbonitrile

6-[(3-methylazetidin-3-yl)amino]pyridazine-4-carbonitrile (PubChem CID 131001598) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 6-[(3-methylazetidin-3-yl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-[(3-methylazetidin-3-yl)amino]pyridazine-4-carbonitrile
PubChem CID131001598
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name6-[(3-methylazetidin-3-yl)amino]pyridazine-4-carbonitrile
SMILESCC1(Nc2cc(C#N)cnn2)CNC1
InChIInChI=1S/C9H11N5/c1-9(5-11-6-9)13-8-2-7(3-10)4-12-14-8/h2,4,11H,5-6H2,1H3,(H,13,14)
InChIKeyYNWZHCGEQDGXGI-UHFFFAOYSA-N
XLogP0.12
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylazetidin-3-yl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 6-[(3-methylazetidin-3-yl)amino]pyridazine-4-carbonitrile (CID 131001598) is 6-[(3-methylazetidin-3-yl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 6-[(3-methylazetidin-3-yl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 6-[(3-methylazetidin-3-yl)amino]pyridazine-4-carbonitrile is CC1(Nc2cc(C#N)cnn2)CNC1.
What is the InChIKey of 6-[(3-methylazetidin-3-yl)amino]pyridazine-4-carbonitrile?
The InChIKey is YNWZHCGEQDGXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-9(5-11-6-9)13-8-2-7(3-10)4-12-14-8/h2,4,11H,5-6H2,1H3,(H,13,14).
What are the key properties of 6-[(3-methylazetidin-3-yl)amino]pyridazine-4-carbonitrile?
6-[(3-methylazetidin-3-yl)amino]pyridazine-4-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylazetidin-3-yl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 131001598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).