5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one

C14H15N3O — CID 82445384

IUPAC5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccccc2)cc1CNC1CC1
InChIInChI=1S/C14H15N3O/c18-14-11(9-15-12-6-7-12)8-13(16-17-14)10-4-2-1-3-5-10/h1-5,8,12,15H,6-7,9H2,(H,17,18)
InChIKeyXETKIEMQCKGZIS-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.69
Rot. Bonds4

About 5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one

5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one (PubChem CID 82445384) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one
PubChem CID82445384
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccccc2)cc1CNC1CC1
InChIInChI=1S/C14H15N3O/c18-14-11(9-15-12-6-7-12)8-13(16-17-14)10-4-2-1-3-5-10/h1-5,8,12,15H,6-7,9H2,(H,17,18)
InChIKeyXETKIEMQCKGZIS-UHFFFAOYSA-N
XLogP1.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-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 5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one (CID 82445384) is 5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one is O=c1[nH]nc(-c2ccccc2)cc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one?
The InChIKey is XETKIEMQCKGZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14-11(9-15-12-6-7-12)8-13(16-17-14)10-4-2-1-3-5-10/h1-5,8,12,15H,6-7,9H2,(H,17,18).
What are the key properties of 5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one?
5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one has a molecular weight of 241.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 82445384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).