3-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine

C15H16N4O2S — CID 646468

IUPAC3-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
SMILESCOCCn1c(SCc2cccnc2)nnc1-c1ccco1
InChIInChI=1S/C15H16N4O2S/c1-20-9-7-19-14(13-5-3-8-21-13)17-18-15(19)22-11-12-4-2-6-16-10-12/h2-6,8,10H,7,9,11H2,1H3
InChIKeyPEQKYIDALZXYHZ-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.87
Rot. Bonds7

About 3-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine

3-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine (PubChem CID 646468) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 3-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine.

Molecular Properties

Compound Name3-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
PubChem CID646468
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name3-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
SMILESCOCCn1c(SCc2cccnc2)nnc1-c1ccco1
InChIInChI=1S/C15H16N4O2S/c1-20-9-7-19-14(13-5-3-8-21-13)17-18-15(19)22-11-12-4-2-6-16-10-12/h2-6,8,10H,7,9,11H2,1H3
InChIKeyPEQKYIDALZXYHZ-UHFFFAOYSA-N
XLogP2.87
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine with MolForge

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Related Compounds

probe 1.1 [PMID: 24187130]
CID 46245518
2-{[4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
CID 662283
2-{[4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-2-yl)ethanone
CID 662419
1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CID 663010
2-{[4-(2-furylmethyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}-1-phenylethanone
CID 1242286
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)-N-(furan-2-ylmethyl)acetamide
CID 686615
2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 938470
2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylacetamide
CID 1154984
Furan-2-carboxylic acid ethyl-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 24792448
4-(5-Furan-2-yl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-pyridine
CID 647418
6-(Furan-2-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662730
3-(2-Furyl)-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665718

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine?
The IUPAC name of 3-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine (CID 646468) is 3-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine.
What is the SMILES notation for 3-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine?
The canonical SMILES for 3-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine is COCCn1c(SCc2cccnc2)nnc1-c1ccco1.
What is the InChIKey of 3-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine?
The InChIKey is PEQKYIDALZXYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-20-9-7-19-14(13-5-3-8-21-13)17-18-15(19)22-11-12-4-2-6-16-10-12/h2-6,8,10H,7,9,11H2,1H3.
What are the key properties of 3-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine?
3-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine has a molecular weight of 316.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine is sourced from PubChem (CID 646468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).