4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine

C8H8N4S — CID 3012535

IUPAC4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine
SMILESc1cc(CSc2ncn[nH]2)ccn1
InChIInChI=1S/C8H8N4S/c1-3-9-4-2-7(1)5-13-8-10-6-11-12-8/h1-4,6H,5H2,(H,10,11,12)
InChIKeyZXQHHZXDFNYTAY-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.49
Rot. Bonds3

About 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine

4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine (PubChem CID 3012535) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine
PubChem CID3012535
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine
SMILESc1cc(CSc2ncn[nH]2)ccn1
InChIInChI=1S/C8H8N4S/c1-3-9-4-2-7(1)5-13-8-10-6-11-12-8/h1-4,6H,5H2,(H,10,11,12)
InChIKeyZXQHHZXDFNYTAY-UHFFFAOYSA-N
XLogP1.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(benzylsulfanyl)-4H-1,2,4-triazol-3-yl]pyridin-3-amine
CID 9795779
N-(4-methylphenyl)-5-[(pyridin-4-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 9796249
N-(4-methylphenyl)-5-[(pyridin-2-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 9817701
N-{5-[(pyridin-4-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridin-3-amine
CID 16756163
N-(2-methylphenyl)-5-[(pyridin-4-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 16757241
N-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-5-amine
CID 294856
1H-1,2,4-Triazole, 5-(4-pyridyl)-
CID 203621
3-(Cinnamylthio)-5-(3-pyridinyl)-4H-1,2,4-triazol-4-amine
CID 2034924
3-((2-Fluorobenzyl)thio)-5-(3-pyridinyl)-4H-1,2,4-triazol-4-amine
CID 931631
3-((4-Fluorobenzyl)thio)-5-(3-pyridinyl)-4H-1,2,4-triazol-4-amine
CID 937065
3-[(3-Fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine
CID 932888
3-(4-Fluoro-benzylsulfanyl)-5-pyridin-4-yl-[1,2,4]triazol-4-ylamine
CID 937215

Frequently Asked Questions

What is the IUPAC name of 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine?
The IUPAC name of 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine (CID 3012535) is 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine.
What is the SMILES notation for 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine?
The canonical SMILES for 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine is c1cc(CSc2ncn[nH]2)ccn1.
What is the InChIKey of 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine?
The InChIKey is ZXQHHZXDFNYTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-3-9-4-2-7(1)5-13-8-10-6-11-12-8/h1-4,6H,5H2,(H,10,11,12).
What are the key properties of 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine?
4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine has a molecular weight of 192.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine is sourced from PubChem (CID 3012535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).