3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine

C8H12N6OS — CID 29179177

IUPAC3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
SMILESCCc1nnc(CSc2nnc(C)n2N)o1
InChIInChI=1S/C8H12N6OS/c1-3-6-11-12-7(15-6)4-16-8-13-10-5(2)14(8)9/h3-4,9H2,1-2H3
InChIKeyPUHHYBVFKMJMTE-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.54
Rot. Bonds4

About 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine

3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine (PubChem CID 29179177) has the molecular formula C8H12N6OS and a molecular weight of 240.29 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
PubChem CID29179177
Molecular FormulaC8H12N6OS
Molecular Weight240.29 g/mol
Exact Mass240.08
IUPAC Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
SMILESCCc1nnc(CSc2nnc(C)n2N)o1
InChIInChI=1S/C8H12N6OS/c1-3-6-11-12-7(15-6)4-16-8-13-10-5(2)14(8)9/h3-4,9H2,1-2H3
InChIKeyPUHHYBVFKMJMTE-UHFFFAOYSA-N
XLogP0.54
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine (CID 29179177) is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine is CCc1nnc(CSc2nnc(C)n2N)o1.
What is the InChIKey of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine?
The InChIKey is PUHHYBVFKMJMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6OS/c1-3-6-11-12-7(15-6)4-16-8-13-10-5(2)14(8)9/h3-4,9H2,1-2H3.
What are the key properties of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine?
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine has a molecular weight of 240.29 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 29179177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).