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

C8H9N5O2S — CID 62208681

IUPAC2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
SMILESCNc1snnc1Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H9N5O2S/c1-9-8-5(10-12-16-8)4-13-7(15)3-2-6(14)11-13/h2-3,9H,4H2,1H3,(H,11,14)
InChIKeyJBWWCYYOZPKJIB-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.52
Rot. Bonds3

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

2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione (PubChem CID 62208681) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
PubChem CID62208681
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
SMILESCNc1snnc1Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H9N5O2S/c1-9-8-5(10-12-16-8)4-13-7(15)3-2-6(14)11-13/h2-3,9H,4H2,1H3,(H,11,14)
InChIKeyJBWWCYYOZPKJIB-UHFFFAOYSA-N
XLogP-0.52
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione (CID 62208681) is 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione is CNc1snnc1Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
The InChIKey is JBWWCYYOZPKJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-9-8-5(10-12-16-8)4-13-7(15)3-2-6(14)11-13/h2-3,9H,4H2,1H3,(H,11,14).
What are the key properties of 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?
2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione has a molecular weight of 239.26 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 62208681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).