2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

C9H11N5O2S — CID 55168720

IUPAC2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(Cc2nnsc2N)[nH]c1=O
InChIInChI=1S/C9H11N5O2S/c1-4-5(2)9(16)14(12-8(4)15)3-6-7(10)17-13-11-6/h3,10H2,1-2H3,(H,12,15)
InChIKeyMLSMQHJDUBLWDW-UHFFFAOYSA-N
MW253.29 g/mol
LogP-0.36
Rot. Bonds2

About 2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 55168720) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID55168720
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(Cc2nnsc2N)[nH]c1=O
InChIInChI=1S/C9H11N5O2S/c1-4-5(2)9(16)14(12-8(4)15)3-6-7(10)17-13-11-6/h3,10H2,1-2H3,(H,12,15)
InChIKeyMLSMQHJDUBLWDW-UHFFFAOYSA-N
XLogP-0.36
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione 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-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 55168720) is 2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is Cc1c(C)c(=O)n(Cc2nnsc2N)[nH]c1=O.
What is the InChIKey of 2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is MLSMQHJDUBLWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-4-5(2)9(16)14(12-8(4)15)3-6-7(10)17-13-11-6/h3,10H2,1-2H3,(H,12,15).
What are the key properties of 2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 253.29 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminothiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 55168720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).