5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one

C9H11N5OS — CID 106549020

IUPAC5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one
SMILESCNc1snnc1Cn1ncc(C)cc1=O
InChIInChI=1S/C9H11N5OS/c1-6-3-8(15)14(11-4-6)5-7-9(10-2)16-13-12-7/h3-4,10H,5H2,1-2H3
InChIKeyIEWRFRHJTUTGCM-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.49
Rot. Bonds3

About 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one

5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one (PubChem CID 106549020) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one
PubChem CID106549020
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one
SMILESCNc1snnc1Cn1ncc(C)cc1=O
InChIInChI=1S/C9H11N5OS/c1-6-3-8(15)14(11-4-6)5-7-9(10-2)16-13-12-7/h3-4,10H,5H2,1-2H3
InChIKeyIEWRFRHJTUTGCM-UHFFFAOYSA-N
XLogP0.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-2-[[5-(methylamino)thiadiazol-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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one (CID 106549020) is 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one is CNc1snnc1Cn1ncc(C)cc1=O.
What is the InChIKey of 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one?
The InChIKey is IEWRFRHJTUTGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-6-3-8(15)14(11-4-6)5-7-9(10-2)16-13-12-7/h3-4,10H,5H2,1-2H3.
What are the key properties of 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one?
5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one has a molecular weight of 237.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 106549020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).