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

C15H18IN3O — CID 114396977

IUPAC2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(Cc2ccc(I)cc2)c(=O)c1
InChIInChI=1S/C15H18IN3O/c1-3-8-18(2)14-9-15(20)19(17-10-14)11-12-4-6-13(16)7-5-12/h4-7,9-10H,3,8,11H2,1-2H3
InChIKeyUQPYROPFZLMRSE-UHFFFAOYSA-N
MW383.23 g/mol
LogP2.74
Rot. Bonds5

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

2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 114396977) has the molecular formula C15H18IN3O and a molecular weight of 383.23 g/mol. Its IUPAC name is 2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID114396977
Molecular FormulaC15H18IN3O
Molecular Weight383.23 g/mol
Exact Mass383.05
IUPAC Name2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(Cc2ccc(I)cc2)c(=O)c1
InChIInChI=1S/C15H18IN3O/c1-3-8-18(2)14-9-15(20)19(17-10-14)11-12-4-6-13(16)7-5-12/h4-7,9-10H,3,8,11H2,1-2H3
InChIKeyUQPYROPFZLMRSE-UHFFFAOYSA-N
XLogP2.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one (CID 114396977) is 2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one is CCCN(C)c1cnn(Cc2ccc(I)cc2)c(=O)c1.
What is the InChIKey of 2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is UQPYROPFZLMRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O/c1-3-8-18(2)14-9-15(20)19(17-10-14)11-12-4-6-13(16)7-5-12/h4-7,9-10H,3,8,11H2,1-2H3.
What are the key properties of 2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one?
2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 383.23 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 114396977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).