7,8-dimethyl-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

C8H11N5O2S — CID 58136894

IUPAC7,8-dimethyl-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCc1c(S(C)(=O)=O)nn2c(N)nnc2c1C
InChIInChI=1S/C8H11N5O2S/c1-4-5(2)7(16(3,14)15)12-13-6(4)10-11-8(13)9/h1-3H3,(H2,9,11)
InChIKeyUAFXEBKMQUBMDL-UHFFFAOYSA-N
MW241.28 g/mol
LogP-0.27
Rot. Bonds1

About 7,8-dimethyl-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

7,8-dimethyl-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 58136894) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is 7,8-dimethyl-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound Name7,8-dimethyl-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID58136894
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC Name7,8-dimethyl-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCc1c(S(C)(=O)=O)nn2c(N)nnc2c1C
InChIInChI=1S/C8H11N5O2S/c1-4-5(2)7(16(3,14)15)12-13-6(4)10-11-8(13)9/h1-3H3,(H2,9,11)
InChIKeyUAFXEBKMQUBMDL-UHFFFAOYSA-N
XLogP-0.27
TPSA103.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of 7,8-dimethyl-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 58136894) is 7,8-dimethyl-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for 7,8-dimethyl-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for 7,8-dimethyl-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is Cc1c(S(C)(=O)=O)nn2c(N)nnc2c1C.
What is the InChIKey of 7,8-dimethyl-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is UAFXEBKMQUBMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-4-5(2)7(16(3,14)15)12-13-6(4)10-11-8(13)9/h1-3H3,(H2,9,11).
What are the key properties of 7,8-dimethyl-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
7,8-dimethyl-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 241.28 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 58136894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).