2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

C15H18IN3O2 — CID 114396924

IUPAC2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(Cc2ccc(I)cc2)c(=O)c1
InChIInChI=1S/C15H18IN3O2/c1-18(7-8-21-2)14-9-15(20)19(17-10-14)11-12-3-5-13(16)6-4-12/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyILTSASJVVOKODG-UHFFFAOYSA-N
MW399.23 g/mol
LogP1.98
Rot. Bonds6

About 2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 114396924) has the molecular formula C15H18IN3O2 and a molecular weight of 399.23 g/mol. Its IUPAC name is 2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
PubChem CID114396924
Molecular FormulaC15H18IN3O2
Molecular Weight399.23 g/mol
Exact Mass399.04
IUPAC Name2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(Cc2ccc(I)cc2)c(=O)c1
InChIInChI=1S/C15H18IN3O2/c1-18(7-8-21-2)14-9-15(20)19(17-10-14)11-12-3-5-13(16)6-4-12/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyILTSASJVVOKODG-UHFFFAOYSA-N
XLogP1.98
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396920
2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396977
2-[(6-amino-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114395919
2-[(5-bromo-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396921
5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one
CID 114396959
2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396340
2-[(5-bromo-2-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396927
2-[2-(2-chloroethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394318
2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396760
2-[2-(2-aminoethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103482433
2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396159
3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanethioamide
CID 114395810

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (CID 114396924) is 2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is COCCN(C)c1cnn(Cc2ccc(I)cc2)c(=O)c1.
What is the InChIKey of 2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is ILTSASJVVOKODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O2/c1-18(7-8-21-2)14-9-15(20)19(17-10-14)11-12-3-5-13(16)6-4-12/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 399.23 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114396924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).