3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine

C9H9BrN4S — CID 105368449

IUPAC3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
SMILESCc1cnc(Sc2n[nH]c(C)n2)c(Br)c1
InChIInChI=1S/C9H9BrN4S/c1-5-3-7(10)8(11-4-5)15-9-12-6(2)13-14-9/h3-4H,1-2H3,(H,12,13,14)
InChIKeyAXSMCRWPQJLCSY-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.73
Rot. Bonds2

About 3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine

3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine (PubChem CID 105368449) has the molecular formula C9H9BrN4S and a molecular weight of 285.17 g/mol. Its IUPAC name is 3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
PubChem CID105368449
Molecular FormulaC9H9BrN4S
Molecular Weight285.17 g/mol
Exact Mass283.97
IUPAC Name3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
SMILESCc1cnc(Sc2n[nH]c(C)n2)c(Br)c1
InChIInChI=1S/C9H9BrN4S/c1-5-3-7(10)8(11-4-5)15-9-12-6(2)13-14-9/h3-4H,1-2H3,(H,12,13,14)
InChIKeyAXSMCRWPQJLCSY-UHFFFAOYSA-N
XLogP2.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 114837975
5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 103583844
5-bromo-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylic acid
CID 62000235
5-bromo-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-pyrimidin-6-one
CID 114791134
5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide
CID 61359981
4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]phenol
CID 105367489
3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine
CID 105368462
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine-3-carboxylic acid
CID 114046882
6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine
CID 79947218
[5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 80923061
2-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 105366570
5-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 105368475

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine?
The IUPAC name of 3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine (CID 105368449) is 3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine.
What is the SMILES notation for 3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine?
The canonical SMILES for 3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine is Cc1cnc(Sc2n[nH]c(C)n2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine?
The InChIKey is AXSMCRWPQJLCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4S/c1-5-3-7(10)8(11-4-5)15-9-12-6(2)13-14-9/h3-4H,1-2H3,(H,12,13,14).
What are the key properties of 3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine?
3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine has a molecular weight of 285.17 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine is sourced from PubChem (CID 105368449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).