2-[2-(ethylamino)-2-phenylethyl]-6-methylpyridazin-3-one

C15H19N3O — CID 62923203

IUPAC2-[2-(ethylamino)-2-phenylethyl]-6-methylpyridazin-3-one
SMILESCCNC(Cn1nc(C)ccc1=O)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-3-16-14(13-7-5-4-6-8-13)11-18-15(19)10-9-12(2)17-18/h4-10,14,16H,3,11H2,1-2H3
InChIKeyYBKJMGZJBKBUNE-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.90
Rot. Bonds5

About 2-[2-(ethylamino)-2-phenylethyl]-6-methylpyridazin-3-one

2-[2-(ethylamino)-2-phenylethyl]-6-methylpyridazin-3-one (PubChem CID 62923203) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[2-(ethylamino)-2-phenylethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(ethylamino)-2-phenylethyl]-6-methylpyridazin-3-one
PubChem CID62923203
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[2-(ethylamino)-2-phenylethyl]-6-methylpyridazin-3-one
SMILESCCNC(Cn1nc(C)ccc1=O)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-3-16-14(13-7-5-4-6-8-13)11-18-15(19)10-9-12(2)17-18/h4-10,14,16H,3,11H2,1-2H3
InChIKeyYBKJMGZJBKBUNE-UHFFFAOYSA-N
XLogP1.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.90
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-phenylethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-(ethylamino)-2-phenylethyl]-6-methylpyridazin-3-one (CID 62923203) is 2-[2-(ethylamino)-2-phenylethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(ethylamino)-2-phenylethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(ethylamino)-2-phenylethyl]-6-methylpyridazin-3-one is CCNC(Cn1nc(C)ccc1=O)c1ccccc1.
What is the InChIKey of 2-[2-(ethylamino)-2-phenylethyl]-6-methylpyridazin-3-one?
The InChIKey is YBKJMGZJBKBUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-16-14(13-7-5-4-6-8-13)11-18-15(19)10-9-12(2)17-18/h4-10,14,16H,3,11H2,1-2H3.
What are the key properties of 2-[2-(ethylamino)-2-phenylethyl]-6-methylpyridazin-3-one?
2-[2-(ethylamino)-2-phenylethyl]-6-methylpyridazin-3-one has a molecular weight of 257.34 g/mol, XLogP of 1.90, 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-phenylethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 62923203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).