6-(4-aminophenyl)-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one

C12H15N3O2 — CID 11241778

IUPAC6-(4-aminophenyl)-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one
SMILESNc1ccc(C2=NN(CCO)C(=O)CC2)cc1
InChIInChI=1S/C12H15N3O2/c13-10-3-1-9(2-4-10)11-5-6-12(17)15(14-11)7-8-16/h1-4,16H,5-8,13H2
InChIKeyHZTPDCBGGIPVMQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.59
Rot. Bonds3

About 6-(4-aminophenyl)-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one

6-(4-aminophenyl)-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one (PubChem CID 11241778) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-(4-aminophenyl)-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-aminophenyl)-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one
PubChem CID11241778
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-(4-aminophenyl)-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one
SMILESNc1ccc(C2=NN(CCO)C(=O)CC2)cc1
InChIInChI=1S/C12H15N3O2/c13-10-3-1-9(2-4-10)11-5-6-12(17)15(14-11)7-8-16/h1-4,16H,5-8,13H2
InChIKeyHZTPDCBGGIPVMQ-UHFFFAOYSA-N
XLogP0.59
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-aminophenyl)-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one (CID 11241778) is 6-(4-aminophenyl)-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-aminophenyl)-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-aminophenyl)-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one is Nc1ccc(C2=NN(CCO)C(=O)CC2)cc1.
What is the InChIKey of 6-(4-aminophenyl)-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is HZTPDCBGGIPVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-10-3-1-9(2-4-10)11-5-6-12(17)15(14-11)7-8-16/h1-4,16H,5-8,13H2.
What are the key properties of 6-(4-aminophenyl)-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one?
6-(4-aminophenyl)-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 233.27 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 11241778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).