2-[(4-iodophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

C14H14IN3O — CID 65478578

IUPAC2-[(4-iodophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1Cc1ccc(I)cc1)CCNC2
InChIInChI=1S/C14H14IN3O/c15-12-3-1-10(2-4-12)9-18-14(19)7-11-8-16-6-5-13(11)17-18/h1-4,7,16H,5-6,8-9H2
InChIKeyDRANUDWJBKFQDF-UHFFFAOYSA-N
MW367.19 g/mol
LogP1.54
Rot. Bonds2

About 2-[(4-iodophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

2-[(4-iodophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 65478578) has the molecular formula C14H14IN3O and a molecular weight of 367.19 g/mol. Its IUPAC name is 2-[(4-iodophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-iodophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID65478578
Molecular FormulaC14H14IN3O
Molecular Weight367.19 g/mol
Exact Mass367.02
IUPAC Name2-[(4-iodophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1Cc1ccc(I)cc1)CCNC2
InChIInChI=1S/C14H14IN3O/c15-12-3-1-10(2-4-12)9-18-14(19)7-11-8-16-6-5-13(11)17-18/h1-4,7,16H,5-6,8-9H2
InChIKeyDRANUDWJBKFQDF-UHFFFAOYSA-N
XLogP1.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-iodophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[(4-iodophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 65478578) is 2-[(4-iodophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[(4-iodophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[(4-iodophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is O=c1cc2c(nn1Cc1ccc(I)cc1)CCNC2.
What is the InChIKey of 2-[(4-iodophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is DRANUDWJBKFQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN3O/c15-12-3-1-10(2-4-12)9-18-14(19)7-11-8-16-6-5-13(11)17-18/h1-4,7,16H,5-6,8-9H2.
What are the key properties of 2-[(4-iodophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
2-[(4-iodophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 367.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 65478578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).