2-(2-aminoethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one

C16H19N3O — CID 82036676

IUPAC2-(2-aminoethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one
SMILESNCCn1nc(-c2ccc3c(c2)CCCC3)ccc1=O
InChIInChI=1S/C16H19N3O/c17-9-10-19-16(20)8-7-15(18-19)14-6-5-12-3-1-2-4-13(12)11-14/h5-8,11H,1-4,9-10,17H2
InChIKeyZTIAGYNNDJQYPV-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.75
Rot. Bonds3

About 2-(2-aminoethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one

2-(2-aminoethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one (PubChem CID 82036676) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one
PubChem CID82036676
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(2-aminoethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one
SMILESNCCn1nc(-c2ccc3c(c2)CCCC3)ccc1=O
InChIInChI=1S/C16H19N3O/c17-9-10-19-16(20)8-7-15(18-19)14-6-5-12-3-1-2-4-13(12)11-14/h5-8,11H,1-4,9-10,17H2
InChIKeyZTIAGYNNDJQYPV-UHFFFAOYSA-N
XLogP1.75
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one (CID 82036676) is 2-(2-aminoethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one is NCCn1nc(-c2ccc3c(c2)CCCC3)ccc1=O.
What is the InChIKey of 2-(2-aminoethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one?
The InChIKey is ZTIAGYNNDJQYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-9-10-19-16(20)8-7-15(18-19)14-6-5-12-3-1-2-4-13(12)11-14/h5-8,11H,1-4,9-10,17H2.
What are the key properties of 2-(2-aminoethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one?
2-(2-aminoethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one has a molecular weight of 269.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one is sourced from PubChem (CID 82036676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).