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

C12H13N3O2 — CID 14884403

IUPAC3-[4-(2-aminoethoxy)phenyl]-1H-pyridazin-6-one
SMILESNCCOc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C12H13N3O2/c13-7-8-17-10-3-1-9(2-4-10)11-5-6-12(16)15-14-11/h1-6H,7-8,13H2,(H,15,16)
InChIKeyBVGWRTOPYZUDAQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.77
Rot. Bonds4

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

3-[4-(2-aminoethoxy)phenyl]-1H-pyridazin-6-one (PubChem CID 14884403) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[4-(2-aminoethoxy)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2-aminoethoxy)phenyl]-1H-pyridazin-6-one
PubChem CID14884403
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-[4-(2-aminoethoxy)phenyl]-1H-pyridazin-6-one
SMILESNCCOc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C12H13N3O2/c13-7-8-17-10-3-1-9(2-4-10)11-5-6-12(16)15-14-11/h1-6H,7-8,13H2,(H,15,16)
InChIKeyBVGWRTOPYZUDAQ-UHFFFAOYSA-N
XLogP0.77
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethoxy)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2-aminoethoxy)phenyl]-1H-pyridazin-6-one (CID 14884403) is 3-[4-(2-aminoethoxy)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2-aminoethoxy)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2-aminoethoxy)phenyl]-1H-pyridazin-6-one is NCCOc1ccc(-c2ccc(=O)[nH]n2)cc1.
What is the InChIKey of 3-[4-(2-aminoethoxy)phenyl]-1H-pyridazin-6-one?
The InChIKey is BVGWRTOPYZUDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-7-8-17-10-3-1-9(2-4-10)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-aminoethoxy)phenyl]-1H-pyridazin-6-one?
3-[4-(2-aminoethoxy)phenyl]-1H-pyridazin-6-one has a molecular weight of 231.25 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethoxy)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 14884403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).