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

C11H18N6OS — CID 63313782

IUPAC[5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1SCc1nnc(CC)o1
InChIInChI=1S/C11H18N6OS/c1-3-5-17-8(6-12)13-16-11(17)19-7-10-15-14-9(4-2)18-10/h3-7,12H2,1-2H3
InChIKeyHKNZJVZFEABBQS-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.38
Rot. Bonds7

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

[5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 63313782) has the molecular formula C11H18N6OS and a molecular weight of 282.37 g/mol. Its IUPAC name is [5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
PubChem CID63313782
Molecular FormulaC11H18N6OS
Molecular Weight282.37 g/mol
Exact Mass282.13
IUPAC Name[5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1SCc1nnc(CC)o1
InChIInChI=1S/C11H18N6OS/c1-3-5-17-8(6-12)13-16-11(17)19-7-10-15-14-9(4-2)18-10/h3-7,12H2,1-2H3
InChIKeyHKNZJVZFEABBQS-UHFFFAOYSA-N
XLogP1.38
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine (CID 63313782) is [5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine is CCCn1c(CN)nnc1SCc1nnc(CC)o1.
What is the InChIKey of [5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is HKNZJVZFEABBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6OS/c1-3-5-17-8(6-12)13-16-11(17)19-7-10-15-14-9(4-2)18-10/h3-7,12H2,1-2H3.
What are the key properties of [5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine?
[5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 282.37 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 63313782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).