2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one

C11H12N4O — CID 52903522

IUPAC2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one
SMILESNCCn1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C11H12N4O/c12-5-7-15-11(16)4-3-10(14-15)9-2-1-6-13-8-9/h1-4,6,8H,5,7,12H2
InChIKeyBLTKYLDEIAJIHJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.26
Rot. Bonds3

About 2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one

2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one (PubChem CID 52903522) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one
PubChem CID52903522
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one
SMILESNCCn1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C11H12N4O/c12-5-7-15-11(16)4-3-10(14-15)9-2-1-6-13-8-9/h1-4,6,8H,5,7,12H2
InChIKeyBLTKYLDEIAJIHJ-UHFFFAOYSA-N
XLogP0.26
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one (CID 52903522) is 2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one is NCCn1nc(-c2cccnc2)ccc1=O.
What is the InChIKey of 2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is BLTKYLDEIAJIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-5-7-15-11(16)4-3-10(14-15)9-2-1-6-13-8-9/h1-4,6,8H,5,7,12H2.
What are the key properties of 2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one?
2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 216.24 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 52903522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).