2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)ethanamine

C9H14N4 — CID 82409884

IUPAC2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)ethanamine
SMILESNCCC1NCCc2nnccc21
InChIInChI=1S/C9H14N4/c10-4-1-8-7-2-6-12-13-9(7)3-5-11-8/h2,6,8,11H,1,3-5,10H2
InChIKeyIQSKQTYTGWMLFM-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.01
Rot. Bonds2

About 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)ethanamine

2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)ethanamine (PubChem CID 82409884) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)ethanamine
PubChem CID82409884
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)ethanamine
SMILESNCCC1NCCc2nnccc21
InChIInChI=1S/C9H14N4/c10-4-1-8-7-2-6-12-13-9(7)3-5-11-8/h2,6,8,11H,1,3-5,10H2
InChIKeyIQSKQTYTGWMLFM-UHFFFAOYSA-N
XLogP0.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)ethanamine?
The IUPAC name of 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)ethanamine (CID 82409884) is 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)ethanamine.
What is the SMILES notation for 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)ethanamine?
The canonical SMILES for 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)ethanamine is NCCC1NCCc2nnccc21.
What is the InChIKey of 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)ethanamine?
The InChIKey is IQSKQTYTGWMLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-4-1-8-7-2-6-12-13-9(7)3-5-11-8/h2,6,8,11H,1,3-5,10H2.
What are the key properties of 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)ethanamine?
2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)ethanamine has a molecular weight of 178.24 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)ethanamine is sourced from PubChem (CID 82409884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).