5-amino-2-chloropyridazin-3-one

C4H4ClN3O — CID 141311068

IUPAC5-amino-2-chloropyridazin-3-one
SMILESNc1cnn(Cl)c(=O)c1
InChIInChI=1S/C4H4ClN3O/c5-8-4(9)1-3(6)2-7-8/h1-2H,6H2
InChIKeyAOZAIAQHCNNOOD-UHFFFAOYSA-N
MW145.55 g/mol
LogP-0.17
Rot. Bonds

About 5-amino-2-chloropyridazin-3-one

5-amino-2-chloropyridazin-3-one (PubChem CID 141311068) has the molecular formula C4H4ClN3O and a molecular weight of 145.55 g/mol. Its IUPAC name is 5-amino-2-chloropyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-chloropyridazin-3-one
PubChem CID141311068
Molecular FormulaC4H4ClN3O
Molecular Weight145.55 g/mol
Exact Mass145.00
IUPAC Name5-amino-2-chloropyridazin-3-one
SMILESNc1cnn(Cl)c(=O)c1
InChIInChI=1S/C4H4ClN3O/c5-8-4(9)1-3(6)2-7-8/h1-2H,6H2
InChIKeyAOZAIAQHCNNOOD-UHFFFAOYSA-N
XLogP-0.17
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.55
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-2-chloropyridazin-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 5-amino-2-chloropyridazin-3-one?
The IUPAC name of 5-amino-2-chloropyridazin-3-one (CID 141311068) is 5-amino-2-chloropyridazin-3-one.
What is the SMILES notation for 5-amino-2-chloropyridazin-3-one?
The canonical SMILES for 5-amino-2-chloropyridazin-3-one is Nc1cnn(Cl)c(=O)c1.
What is the InChIKey of 5-amino-2-chloropyridazin-3-one?
The InChIKey is AOZAIAQHCNNOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3O/c5-8-4(9)1-3(6)2-7-8/h1-2H,6H2.
What are the key properties of 5-amino-2-chloropyridazin-3-one?
5-amino-2-chloropyridazin-3-one has a molecular weight of 145.55 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloropyridazin-3-one is sourced from PubChem (CID 141311068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).