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

C13H15N3O2 — CID 15107819

IUPAC3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one
SMILESCc1cc(-c2ccc(=O)[nH]n2)ccc1OCCN
InChIInChI=1S/C13H15N3O2/c1-9-8-10(2-4-12(9)18-7-6-14)11-3-5-13(17)16-15-11/h2-5,8H,6-7,14H2,1H3,(H,16,17)
InChIKeyVTKXSTRQRGPTCY-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.08
Rot. Bonds4

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

3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one (PubChem CID 15107819) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one
PubChem CID15107819
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one
SMILESCc1cc(-c2ccc(=O)[nH]n2)ccc1OCCN
InChIInChI=1S/C13H15N3O2/c1-9-8-10(2-4-12(9)18-7-6-14)11-3-5-13(17)16-15-11/h2-5,8H,6-7,14H2,1H3,(H,16,17)
InChIKeyVTKXSTRQRGPTCY-UHFFFAOYSA-N
XLogP1.08
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.08
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)-3-methylphenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one (CID 15107819) is 3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one is Cc1cc(-c2ccc(=O)[nH]n2)ccc1OCCN.
What is the InChIKey of 3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one?
The InChIKey is VTKXSTRQRGPTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-8-10(2-4-12(9)18-7-6-14)11-3-5-13(17)16-15-11/h2-5,8H,6-7,14H2,1H3,(H,16,17).
What are the key properties of 3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one?
3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one has a molecular weight of 245.28 g/mol, XLogP of 1.08, 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)-3-methylphenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 15107819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).