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

C17H23N3O — CID 62850127

IUPAC2-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one
SMILESCCNC(Cn1ncccc1=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H23N3O/c1-5-18-15(11-20-16(21)7-6-8-19-20)17-13(3)9-12(2)10-14(17)4/h6-10,15,18H,5,11H2,1-4H3
InChIKeyVRGRLZFFOURJBN-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.52
Rot. Bonds5

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

2-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one (PubChem CID 62850127) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one
PubChem CID62850127
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one
SMILESCCNC(Cn1ncccc1=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H23N3O/c1-5-18-15(11-20-16(21)7-6-8-19-20)17-13(3)9-12(2)10-14(17)4/h6-10,15,18H,5,11H2,1-4H3
InChIKeyVRGRLZFFOURJBN-UHFFFAOYSA-N
XLogP2.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one (CID 62850127) is 2-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one is CCNC(Cn1ncccc1=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one?
The InChIKey is VRGRLZFFOURJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-18-15(11-20-16(21)7-6-8-19-20)17-13(3)9-12(2)10-14(17)4/h6-10,15,18H,5,11H2,1-4H3.
What are the key properties of 2-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one?
2-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one has a molecular weight of 285.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one is sourced from PubChem (CID 62850127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).