6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

C8H8BrN3S — CID 117257760

IUPAC6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCSCc1nc2ccc(Br)cn2n1
InChIInChI=1S/C8H8BrN3S/c1-13-5-7-10-8-3-2-6(9)4-12(8)11-7/h2-4H,5H2,1H3
InChIKeyCMVXDQBLVOIDQQ-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.35
Rot. Bonds2

About 6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117257760) has the molecular formula C8H8BrN3S and a molecular weight of 258.14 g/mol. Its IUPAC name is 6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117257760
Molecular FormulaC8H8BrN3S
Molecular Weight258.14 g/mol
Exact Mass256.96
IUPAC Name6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCSCc1nc2ccc(Br)cn2n1
InChIInChI=1S/C8H8BrN3S/c1-13-5-7-10-8-3-2-6(9)4-12(8)11-7/h2-4H,5H2,1H3
InChIKeyCMVXDQBLVOIDQQ-UHFFFAOYSA-N
XLogP2.35
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117257760) is 6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is CSCc1nc2ccc(Br)cn2n1.
What is the InChIKey of 6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is CMVXDQBLVOIDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3S/c1-13-5-7-10-8-3-2-6(9)4-12(8)11-7/h2-4H,5H2,1H3.
What are the key properties of 6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 258.14 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117257760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).