5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole

C7H7N3OS — CID 68957437

IUPAC5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole
SMILESc1coc(CSc2ncn[nH]2)c1
InChIInChI=1S/C7H7N3OS/c1-2-6(11-3-1)4-12-7-8-5-9-10-7/h1-3,5H,4H2,(H,8,9,10)
InChIKeyVZBQNRAZHJXDLR-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.69
Rot. Bonds3

About 5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole

5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole (PubChem CID 68957437) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole
PubChem CID68957437
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole
SMILESc1coc(CSc2ncn[nH]2)c1
InChIInChI=1S/C7H7N3OS/c1-2-6(11-3-1)4-12-7-8-5-9-10-7/h1-3,5H,4H2,(H,8,9,10)
InChIKeyVZBQNRAZHJXDLR-UHFFFAOYSA-N
XLogP1.69
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55334081
N-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 134016667
3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 37314754
N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 112812140
N-[4-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 31011314
N-methyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine
CID 62467120
4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 63885411
N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine
CID 62467300
3,6-dichloro-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine
CID 62885118
5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 142174785
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1H-benzimidazole
CID 583185
ethyl 5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxylate
CID 660624

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole (CID 68957437) is 5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole is c1coc(CSc2ncn[nH]2)c1.
What is the InChIKey of 5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole?
The InChIKey is VZBQNRAZHJXDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-2-6(11-3-1)4-12-7-8-5-9-10-7/h1-3,5H,4H2,(H,8,9,10).
What are the key properties of 5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole?
5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole has a molecular weight of 181.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole is sourced from PubChem (CID 68957437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).