3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine

C13H16N6O2S — CID 46567685

IUPAC3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine
SMILESCCCc1noc(C(C)Sc2nnc(-c3ccco3)n2N)n1
InChIInChI=1S/C13H16N6O2S/c1-3-5-10-15-12(21-18-10)8(2)22-13-17-16-11(19(13)14)9-6-4-7-20-9/h4,6-8H,3,5,14H2,1-2H3
InChIKeyZRJIRUFOPSFFDO-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.44
Rot. Bonds6

About 3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine

3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine (PubChem CID 46567685) has the molecular formula C13H16N6O2S and a molecular weight of 320.38 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine
PubChem CID46567685
Molecular FormulaC13H16N6O2S
Molecular Weight320.38 g/mol
Exact Mass320.11
IUPAC Name3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine
SMILESCCCc1noc(C(C)Sc2nnc(-c3ccco3)n2N)n1
InChIInChI=1S/C13H16N6O2S/c1-3-5-10-15-12(21-18-10)8(2)22-13-17-16-11(19(13)14)9-6-4-7-20-9/h4,6-8H,3,5,14H2,1-2H3
InChIKeyZRJIRUFOPSFFDO-UHFFFAOYSA-N
XLogP2.44
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine with MolForge

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Related Compounds

3-(4-methylphenyl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine
CID 46604393
5-[1-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 46567585
4-amino-3-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-6-methyl-1,2,4-triazin-5-one
CID 43062139
3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 7638246
5-[1-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 46567766
3-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-amine
CID 86919874
(2S)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 7273286
5-[1-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 46567660
5-[1-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 42947972
5-[(1S)-1-(1-ethyltetrazol-5-yl)sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 36983533
(2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate
CID 8991143
5-[(1R)-1-(1-tert-butyltetrazol-5-yl)sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 36983477

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine (CID 46567685) is 3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine is CCCc1noc(C(C)Sc2nnc(-c3ccco3)n2N)n1.
What is the InChIKey of 3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is ZRJIRUFOPSFFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2S/c1-3-5-10-15-12(21-18-10)8(2)22-13-17-16-11(19(13)14)9-6-4-7-20-9/h4,6-8H,3,5,14H2,1-2H3.
What are the key properties of 3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine?
3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 320.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 46567685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).