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

C15H16IN3O — CID 103221865

IUPAC5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one
SMILESO=c1cc(NCC2CC2)cnn1Cc1ccc(I)cc1
InChIInChI=1S/C15H16IN3O/c16-13-5-3-12(4-6-13)10-19-15(20)7-14(9-18-19)17-8-11-1-2-11/h3-7,9,11,17H,1-2,8,10H2
InChIKeyJAJVJXJRWWYRAL-UHFFFAOYSA-N
MW381.22 g/mol
LogP2.72
Rot. Bonds5

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

5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one (PubChem CID 103221865) has the molecular formula C15H16IN3O and a molecular weight of 381.22 g/mol. Its IUPAC name is 5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one
PubChem CID103221865
Molecular FormulaC15H16IN3O
Molecular Weight381.22 g/mol
Exact Mass381.03
IUPAC Name5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one
SMILESO=c1cc(NCC2CC2)cnn1Cc1ccc(I)cc1
InChIInChI=1S/C15H16IN3O/c16-13-5-3-12(4-6-13)10-19-15(20)7-14(9-18-19)17-8-11-1-2-11/h3-7,9,11,17H,1-2,8,10H2
InChIKeyJAJVJXJRWWYRAL-UHFFFAOYSA-N
XLogP2.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103221923
4-[[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103221819
2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103221743
2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221823
5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one
CID 103221824
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103222013
N-cyclopropyl-2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221777
2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 103221884
5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 103218930
4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
CID 103221934
5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one
CID 103221754
5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one
CID 103221752

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one (CID 103221865) is 5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one is O=c1cc(NCC2CC2)cnn1Cc1ccc(I)cc1.
What is the InChIKey of 5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one?
The InChIKey is JAJVJXJRWWYRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3O/c16-13-5-3-12(4-6-13)10-19-15(20)7-14(9-18-19)17-8-11-1-2-11/h3-7,9,11,17H,1-2,8,10H2.
What are the key properties of 5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one?
5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one has a molecular weight of 381.22 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103221865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).