3-methyl-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,2,4-triazol-4-amine

C7H7N9S — CID 18288196

IUPAC3-methyl-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,2,4-triazol-4-amine
SMILESCc1nnc(Sc2ccc3nnnn3n2)n1N
InChIInChI=1S/C7H7N9S/c1-4-9-11-7(15(4)8)17-6-3-2-5-10-13-14-16(5)12-6/h2-3H,8H2,1H3
InChIKeyUASWIIQGFHAAQZ-UHFFFAOYSA-N
MW249.26 g/mol
LogP-0.72
Rot. Bonds2

About 3-methyl-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,2,4-triazol-4-amine

3-methyl-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,2,4-triazol-4-amine (PubChem CID 18288196) has the molecular formula C7H7N9S and a molecular weight of 249.26 g/mol. Its IUPAC name is 3-methyl-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,2,4-triazol-4-amine
PubChem CID18288196
Molecular FormulaC7H7N9S
Molecular Weight249.26 g/mol
Exact Mass249.05
IUPAC Name3-methyl-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,2,4-triazol-4-amine
SMILESCc1nnc(Sc2ccc3nnnn3n2)n1N
InChIInChI=1S/C7H7N9S/c1-4-9-11-7(15(4)8)17-6-3-2-5-10-13-14-16(5)12-6/h2-3H,8H2,1H3
InChIKeyUASWIIQGFHAAQZ-UHFFFAOYSA-N
XLogP-0.72
TPSA112.70 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-methyl-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,2,4-triazol-4-amine (CID 18288196) is 3-methyl-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-methyl-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-methyl-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,2,4-triazol-4-amine is Cc1nnc(Sc2ccc3nnnn3n2)n1N.
What is the InChIKey of 3-methyl-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,2,4-triazol-4-amine?
The InChIKey is UASWIIQGFHAAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N9S/c1-4-9-11-7(15(4)8)17-6-3-2-5-10-13-14-16(5)12-6/h2-3H,8H2,1H3.
What are the key properties of 3-methyl-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,2,4-triazol-4-amine?
3-methyl-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,2,4-triazol-4-amine has a molecular weight of 249.26 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 18288196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).