5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine

C11H19N5 — CID 58227336

IUPAC5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine
SMILESCC(C)CNc1cc(N2CC(N)C2)cnn1
InChIInChI=1S/C11H19N5/c1-8(2)4-13-11-3-10(5-14-15-11)16-6-9(12)7-16/h3,5,8-9H,4,6-7,12H2,1-2H3,(H,13,15)
InChIKeyOHEJGSBBEMQHTA-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.69
Rot. Bonds4

About 5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine

5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine (PubChem CID 58227336) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine.

Molecular Properties

Compound Name5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine
PubChem CID58227336
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine
SMILESCC(C)CNc1cc(N2CC(N)C2)cnn1
InChIInChI=1S/C11H19N5/c1-8(2)4-13-11-3-10(5-14-15-11)16-6-9(12)7-16/h3,5,8-9H,4,6-7,12H2,1-2H3,(H,13,15)
InChIKeyOHEJGSBBEMQHTA-UHFFFAOYSA-N
XLogP0.69
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine?
The IUPAC name of 5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine (CID 58227336) is 5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine.
What is the SMILES notation for 5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine?
The canonical SMILES for 5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine is CC(C)CNc1cc(N2CC(N)C2)cnn1.
What is the InChIKey of 5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine?
The InChIKey is OHEJGSBBEMQHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-8(2)4-13-11-3-10(5-14-15-11)16-6-9(12)7-16/h3,5,8-9H,4,6-7,12H2,1-2H3,(H,13,15).
What are the key properties of 5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine?
5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine has a molecular weight of 221.31 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine is sourced from PubChem (CID 58227336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).