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

C15H18IN3O — CID 114396959

IUPAC5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one
SMILESCCN(CC)c1cnn(Cc2ccc(I)cc2)c(=O)c1
InChIInChI=1S/C15H18IN3O/c1-3-18(4-2)14-9-15(20)19(17-10-14)11-12-5-7-13(16)8-6-12/h5-10H,3-4,11H2,1-2H3
InChIKeyRAWVHOBWGGFBRR-UHFFFAOYSA-N
MW383.23 g/mol
LogP2.74
Rot. Bonds5

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

5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one (PubChem CID 114396959) has the molecular formula C15H18IN3O and a molecular weight of 383.23 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one
PubChem CID114396959
Molecular FormulaC15H18IN3O
Molecular Weight383.23 g/mol
Exact Mass383.05
IUPAC Name5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one
SMILESCCN(CC)c1cnn(Cc2ccc(I)cc2)c(=O)c1
InChIInChI=1S/C15H18IN3O/c1-3-18(4-2)14-9-15(20)19(17-10-14)11-12-5-7-13(16)8-6-12/h5-10H,3-4,11H2,1-2H3
InChIKeyRAWVHOBWGGFBRR-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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Related Compounds

2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396977
2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one
CID 114395577
2-[(4-iodophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396924
2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
CID 114394352
5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
CID 114399061
2-[(4-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114396882
2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile
CID 114395707
2-[2-(chloromethyl)prop-2-enyl]-5-(diethylamino)pyridazin-3-one
CID 103065887
2-[(4-chlorophenyl)methyl]-5-iodopyridazin-3-one
CID 114553418
3-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylic acid
CID 114394039
2-(3-bromo-2-methylpropyl)-5-(diethylamino)pyridazin-3-one
CID 114394374
5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one
CID 103221865

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one (CID 114396959) is 5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one is CCN(CC)c1cnn(Cc2ccc(I)cc2)c(=O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one?
The InChIKey is RAWVHOBWGGFBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O/c1-3-18(4-2)14-9-15(20)19(17-10-14)11-12-5-7-13(16)8-6-12/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one?
5-(diethylamino)-2-[(4-iodophenyl)methyl]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 5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 114396959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).