2,4-dimethyl-5-[(1-methylazepin-3-yl)amino]pyridazin-3-one

C13H16N4O — CID 175138229

IUPAC2,4-dimethyl-5-[(1-methylazepin-3-yl)amino]pyridazin-3-one
SMILESCc1c(NC2=CN(C)C=CC=C2)cnn(C)c1=O
InChIInChI=1S/C13H16N4O/c1-10-12(8-14-17(3)13(10)18)15-11-6-4-5-7-16(2)9-11/h4-9,15H,1-3H3
InChIKeyQXBUJXRKCMNUKE-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.36
Rot. Bonds2

About 2,4-dimethyl-5-[(1-methylazepin-3-yl)amino]pyridazin-3-one

2,4-dimethyl-5-[(1-methylazepin-3-yl)amino]pyridazin-3-one (PubChem CID 175138229) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(1-methylazepin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[(1-methylazepin-3-yl)amino]pyridazin-3-one
PubChem CID175138229
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2,4-dimethyl-5-[(1-methylazepin-3-yl)amino]pyridazin-3-one
SMILESCc1c(NC2=CN(C)C=CC=C2)cnn(C)c1=O
InChIInChI=1S/C13H16N4O/c1-10-12(8-14-17(3)13(10)18)15-11-6-4-5-7-16(2)9-11/h4-9,15H,1-3H3
InChIKeyQXBUJXRKCMNUKE-UHFFFAOYSA-N
XLogP1.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethyl-5-[(1-methylazepin-3-yl)amino]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-dimethyl-5-[(1-methylazepin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 2,4-dimethyl-5-[(1-methylazepin-3-yl)amino]pyridazin-3-one (CID 175138229) is 2,4-dimethyl-5-[(1-methylazepin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 2,4-dimethyl-5-[(1-methylazepin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 2,4-dimethyl-5-[(1-methylazepin-3-yl)amino]pyridazin-3-one is Cc1c(NC2=CN(C)C=CC=C2)cnn(C)c1=O.
What is the InChIKey of 2,4-dimethyl-5-[(1-methylazepin-3-yl)amino]pyridazin-3-one?
The InChIKey is QXBUJXRKCMNUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-12(8-14-17(3)13(10)18)15-11-6-4-5-7-16(2)9-11/h4-9,15H,1-3H3.
What are the key properties of 2,4-dimethyl-5-[(1-methylazepin-3-yl)amino]pyridazin-3-one?
2,4-dimethyl-5-[(1-methylazepin-3-yl)amino]pyridazin-3-one has a molecular weight of 244.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[(1-methylazepin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 175138229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).