4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine

C8H8N6S — CID 104670074

IUPAC4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2ccnnc2)n1
InChIInChI=1S/C8H8N6S/c1-15-8-13-6(12-7(9)14-8)5-2-3-10-11-4-5/h2-4H,1H3,(H2,9,12,13,14)
InChIKeyVJYAMQYJPKAXRZ-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.63
Rot. Bonds2

About 4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine

4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine (PubChem CID 104670074) has the molecular formula C8H8N6S and a molecular weight of 220.26 g/mol. Its IUPAC name is 4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine
PubChem CID104670074
Molecular FormulaC8H8N6S
Molecular Weight220.26 g/mol
Exact Mass220.05
IUPAC Name4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2ccnnc2)n1
InChIInChI=1S/C8H8N6S/c1-15-8-13-6(12-7(9)14-8)5-2-3-10-11-4-5/h2-4H,1H3,(H2,9,12,13,14)
InChIKeyVJYAMQYJPKAXRZ-UHFFFAOYSA-N
XLogP0.63
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine (CID 104670074) is 4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine is CSc1nc(N)nc(-c2ccnnc2)n1.
What is the InChIKey of 4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is VJYAMQYJPKAXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6S/c1-15-8-13-6(12-7(9)14-8)5-2-3-10-11-4-5/h2-4H,1H3,(H2,9,12,13,14).
What are the key properties of 4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 220.26 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 104670074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).