3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine

C8H10N4OS — CID 43251183

IUPAC3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
SMILESCc1ccc(CSc2n[nH]c(N)n2)o1
InChIInChI=1S/C8H10N4OS/c1-5-2-3-6(13-5)4-14-8-10-7(9)11-12-8/h2-3H,4H2,1H3,(H3,9,10,11,12)
InChIKeySPNGOQDOMSVAAB-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.58
Rot. Bonds3

About 3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine

3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine (PubChem CID 43251183) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
PubChem CID43251183
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
SMILESCc1ccc(CSc2n[nH]c(N)n2)o1
InChIInChI=1S/C8H10N4OS/c1-5-2-3-6(13-5)4-14-8-10-7(9)11-12-8/h2-3H,4H2,1H3,(H3,9,10,11,12)
InChIKeySPNGOQDOMSVAAB-UHFFFAOYSA-N
XLogP1.58
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine (CID 43251183) is 3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine is Cc1ccc(CSc2n[nH]c(N)n2)o1.
What is the InChIKey of 3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine?
The InChIKey is SPNGOQDOMSVAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-5-2-3-6(13-5)4-14-8-10-7(9)11-12-8/h2-3H,4H2,1H3,(H3,9,10,11,12).
What are the key properties of 3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine?
3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine has a molecular weight of 210.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 43251183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).