3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one

C12H13N3O — CID 15107871

IUPAC3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one
SMILESNCCc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C12H13N3O/c13-8-7-9-1-3-10(4-2-9)11-5-6-12(16)15-14-11/h1-6H,7-8,13H2,(H,15,16)
InChIKeyYDBARYXRRKTRGA-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.94
Rot. Bonds3

About 3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one

3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one (PubChem CID 15107871) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one
PubChem CID15107871
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one
SMILESNCCc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C12H13N3O/c13-8-7-9-1-3-10(4-2-9)11-5-6-12(16)15-14-11/h1-6H,7-8,13H2,(H,15,16)
InChIKeyYDBARYXRRKTRGA-UHFFFAOYSA-N
XLogP0.94
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one (CID 15107871) is 3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one is NCCc1ccc(-c2ccc(=O)[nH]n2)cc1.
What is the InChIKey of 3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one?
The InChIKey is YDBARYXRRKTRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-8-7-9-1-3-10(4-2-9)11-5-6-12(16)15-14-11/h1-6H,7-8,13H2,(H,15,16).
What are the key properties of 3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one?
3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one has a molecular weight of 215.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 15107871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).