4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-3-one

C13H13N5OS — CID 2801180

IUPAC4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-3-one
SMILESCc1nn(C)c(=O)c(N)c1-c1cc(-c2ccsc2)n[nH]1
InChIInChI=1S/C13H13N5OS/c1-7-11(12(14)13(19)18(2)17-7)10-5-9(15-16-10)8-3-4-20-6-8/h3-6H,14H2,1-2H3,(H,15,16)
InChIKeyGORYEBBWKAZHRK-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.79
Rot. Bonds2

About 4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-3-one

4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-3-one (PubChem CID 2801180) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-3-one
PubChem CID2801180
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-3-one
SMILESCc1nn(C)c(=O)c(N)c1-c1cc(-c2ccsc2)n[nH]1
InChIInChI=1S/C13H13N5OS/c1-7-11(12(14)13(19)18(2)17-7)10-5-9(15-16-10)8-3-4-20-6-8/h3-6H,14H2,1-2H3,(H,15,16)
InChIKeyGORYEBBWKAZHRK-UHFFFAOYSA-N
XLogP1.79
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)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 4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-3-one?
The IUPAC name of 4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-3-one (CID 2801180) is 4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-3-one.
What is the SMILES notation for 4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-3-one?
The canonical SMILES for 4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-3-one is Cc1nn(C)c(=O)c(N)c1-c1cc(-c2ccsc2)n[nH]1.
What is the InChIKey of 4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-3-one?
The InChIKey is GORYEBBWKAZHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-7-11(12(14)13(19)18(2)17-7)10-5-9(15-16-10)8-3-4-20-6-8/h3-6H,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-3-one?
4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-3-one has a molecular weight of 287.35 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-5-(3-thiophen-3-yl-1H-pyrazol-5-yl)pyridazin-3-one is sourced from PubChem (CID 2801180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).