2-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one

C15H19N3O — CID 55126872

IUPAC2-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one
SMILESCc1cc(C)c(C(N)Cn2ncccc2=O)c(C)c1
InChIInChI=1S/C15H19N3O/c1-10-7-11(2)15(12(3)8-10)13(16)9-18-14(19)5-4-6-17-18/h4-8,13H,9,16H2,1-3H3
InChIKeyMARHAYWELZCNTR-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.87
Rot. Bonds3

About 2-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one

2-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one (PubChem CID 55126872) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one
PubChem CID55126872
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one
SMILESCc1cc(C)c(C(N)Cn2ncccc2=O)c(C)c1
InChIInChI=1S/C15H19N3O/c1-10-7-11(2)15(12(3)8-10)13(16)9-18-14(19)5-4-6-17-18/h4-8,13H,9,16H2,1-3H3
InChIKeyMARHAYWELZCNTR-UHFFFAOYSA-N
XLogP1.87
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one (CID 55126872) is 2-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one is Cc1cc(C)c(C(N)Cn2ncccc2=O)c(C)c1.
What is the InChIKey of 2-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one?
The InChIKey is MARHAYWELZCNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-7-11(2)15(12(3)8-10)13(16)9-18-14(19)5-4-6-17-18/h4-8,13H,9,16H2,1-3H3.
What are the key properties of 2-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one?
2-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one has a molecular weight of 257.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one is sourced from PubChem (CID 55126872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).