8-bromo-2,4-bis(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine

C7H7BrN4S2 — CID 12916120

IUPAC8-bromo-2,4-bis(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine
SMILESCSc1nc(SC)n2ncc(Br)c2n1
InChIInChI=1S/C7H7BrN4S2/c1-13-6-10-5-4(8)3-9-12(5)7(11-6)14-2/h3H,1-2H3
InChIKeyPODAWJXIXHJPAY-UHFFFAOYSA-N
MW291.20 g/mol
LogP2.33
Rot. Bonds2

About 8-bromo-2,4-bis(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine

8-bromo-2,4-bis(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine (PubChem CID 12916120) has the molecular formula C7H7BrN4S2 and a molecular weight of 291.20 g/mol. Its IUPAC name is 8-bromo-2,4-bis(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name8-bromo-2,4-bis(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine
PubChem CID12916120
Molecular FormulaC7H7BrN4S2
Molecular Weight291.20 g/mol
Exact Mass289.93
IUPAC Name8-bromo-2,4-bis(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine
SMILESCSc1nc(SC)n2ncc(Br)c2n1
InChIInChI=1S/C7H7BrN4S2/c1-13-6-10-5-4(8)3-9-12(5)7(11-6)14-2/h3H,1-2H3
InChIKeyPODAWJXIXHJPAY-UHFFFAOYSA-N
XLogP2.33
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,4-bis(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 8-bromo-2,4-bis(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine (CID 12916120) is 8-bromo-2,4-bis(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 8-bromo-2,4-bis(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 8-bromo-2,4-bis(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine is CSc1nc(SC)n2ncc(Br)c2n1.
What is the InChIKey of 8-bromo-2,4-bis(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is PODAWJXIXHJPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4S2/c1-13-6-10-5-4(8)3-9-12(5)7(11-6)14-2/h3H,1-2H3.
What are the key properties of 8-bromo-2,4-bis(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine?
8-bromo-2,4-bis(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 291.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,4-bis(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 12916120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).