4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-thiazinane 1,1-dioxide

C10H13N5O2S — CID 136539754

IUPAC4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-thiazinane 1,1-dioxide
SMILESCc1nc2ccc(N3CCS(=O)(=O)CC3)nn2n1
InChIInChI=1S/C10H13N5O2S/c1-8-11-9-2-3-10(13-15(9)12-8)14-4-6-18(16,17)7-5-14/h2-3H,4-7H2,1H3
InChIKeyFTXVMHZTBXGFCG-UHFFFAOYSA-N
MW267.31 g/mol
LogP-0.33
Rot. Bonds1

About 4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-thiazinane 1,1-dioxide

4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 136539754) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID136539754
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-thiazinane 1,1-dioxide
SMILESCc1nc2ccc(N3CCS(=O)(=O)CC3)nn2n1
InChIInChI=1S/C10H13N5O2S/c1-8-11-9-2-3-10(13-15(9)12-8)14-4-6-18(16,17)7-5-14/h2-3H,4-7H2,1H3
InChIKeyFTXVMHZTBXGFCG-UHFFFAOYSA-N
XLogP-0.33
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-thiazinane 1,1-dioxide (CID 136539754) is 4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-thiazinane 1,1-dioxide is Cc1nc2ccc(N3CCS(=O)(=O)CC3)nn2n1.
What is the InChIKey of 4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is FTXVMHZTBXGFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-8-11-9-2-3-10(13-15(9)12-8)14-4-6-18(16,17)7-5-14/h2-3H,4-7H2,1H3.
What are the key properties of 4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-thiazinane 1,1-dioxide?
4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 267.31 g/mol, XLogP of -0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 136539754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).