6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one

C9H10N4OS — CID 116788406

IUPAC6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one
SMILESCc1nc(Cn2nc(N)ccc2=O)cs1
InChIInChI=1S/C9H10N4OS/c1-6-11-7(5-15-6)4-13-9(14)3-2-8(10)12-13/h2-3,5H,4H2,1H3,(H2,10,12)
InChIKeyPESPYTQRAWEELM-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.64
Rot. Bonds2

About 6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one

6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one (PubChem CID 116788406) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one
PubChem CID116788406
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one
SMILESCc1nc(Cn2nc(N)ccc2=O)cs1
InChIInChI=1S/C9H10N4OS/c1-6-11-7(5-15-6)4-13-9(14)3-2-8(10)12-13/h2-3,5H,4H2,1H3,(H2,10,12)
InChIKeyPESPYTQRAWEELM-UHFFFAOYSA-N
XLogP0.64
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]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

Related Compounds

2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one
CID 141198028
6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 116788287
3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one
CID 82991105
6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one
CID 116788391
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one
CID 115610775
2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one
CID 62850138
6-oxo-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxylic acid
CID 114696119
1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid
CID 55177822
4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole
CID 141136037
2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium
CID 168824389
3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 47160423
3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 103601183

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one (CID 116788406) is 6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one is Cc1nc(Cn2nc(N)ccc2=O)cs1.
What is the InChIKey of 6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one?
The InChIKey is PESPYTQRAWEELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-6-11-7(5-15-6)4-13-9(14)3-2-8(10)12-13/h2-3,5H,4H2,1H3,(H2,10,12).
What are the key properties of 6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one?
6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one has a molecular weight of 222.27 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 116788406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).