2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one

C13H15N3O — CID 62851014

IUPAC2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
SMILESCNC(Cn1ncccc1=O)c1ccccc1
InChIInChI=1S/C13H15N3O/c1-14-12(11-6-3-2-4-7-11)10-16-13(17)8-5-9-15-16/h2-9,12,14H,10H2,1H3
InChIKeyBBBXJMNRZZNPOY-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.20
Rot. Bonds4

About 2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one

2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one (PubChem CID 62851014) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
PubChem CID62851014
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
SMILESCNC(Cn1ncccc1=O)c1ccccc1
InChIInChI=1S/C13H15N3O/c1-14-12(11-6-3-2-4-7-11)10-16-13(17)8-5-9-15-16/h2-9,12,14H,10H2,1H3
InChIKeyBBBXJMNRZZNPOY-UHFFFAOYSA-N
XLogP1.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one (CID 62851014) is 2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one is CNC(Cn1ncccc1=O)c1ccccc1.
What is the InChIKey of 2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one?
The InChIKey is BBBXJMNRZZNPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-14-12(11-6-3-2-4-7-11)10-16-13(17)8-5-9-15-16/h2-9,12,14H,10H2,1H3.
What are the key properties of 2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one?
2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one has a molecular weight of 229.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one is sourced from PubChem (CID 62851014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).