2-methoxy-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine

C10H12N4OS — CID 24851708

IUPAC2-methoxy-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine
SMILESCOc1cc(-c2nnc(SC)n2C)ccn1
InChIInChI=1S/C10H12N4OS/c1-14-9(12-13-10(14)16-3)7-4-5-11-8(6-7)15-2/h4-6H,1-3H3
InChIKeyJHJGFOZHTWQUDS-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.61
Rot. Bonds3

About 2-methoxy-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine

2-methoxy-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine (PubChem CID 24851708) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-methoxy-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name2-methoxy-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine
PubChem CID24851708
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name2-methoxy-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine
SMILESCOc1cc(-c2nnc(SC)n2C)ccn1
InChIInChI=1S/C10H12N4OS/c1-14-9(12-13-10(14)16-3)7-4-5-11-8(6-7)15-2/h4-6H,1-3H3
InChIKeyJHJGFOZHTWQUDS-UHFFFAOYSA-N
XLogP1.61
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 936091
3-[(3-Methoxyphenyl)methylsulfanyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 936130
6-(4-methoxyphenyl)-3-(pyridin-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 662866
6-(4-methoxyphenyl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 936270
N-(4-methoxyphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 1150544
2-[5-(4-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-pyridine
CID 1166017
4-[5-[(3-Fluoro-4-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 2089118
4-[5-[2-(3-Chlorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 2114155
4-[5-[2-(4-Chlorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 2119780
4-[5-[2-(4-Fluorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 2432757
4-[5-(3-Methoxy-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-pyridine
CID 937030
3-[(4-Methoxyphenyl)methylthio]-5-(4-pyridyl)-1,2,4-triazole-4-ylamine
CID 937282

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 2-methoxy-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine (CID 24851708) is 2-methoxy-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 2-methoxy-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 2-methoxy-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine is COc1cc(-c2nnc(SC)n2C)ccn1.
What is the InChIKey of 2-methoxy-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is JHJGFOZHTWQUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-14-9(12-13-10(14)16-3)7-4-5-11-8(6-7)15-2/h4-6H,1-3H3.
What are the key properties of 2-methoxy-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine?
2-methoxy-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 236.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 24851708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).