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

C10H16N6OS — CID 63313954

IUPAC[4-ethyl-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
SMILESCCc1nc(CSc2nnc(CN)n2CC)no1
InChIInChI=1S/C10H16N6OS/c1-3-9-12-7(15-17-9)6-18-10-14-13-8(5-11)16(10)4-2/h3-6,11H2,1-2H3
InChIKeyWWJGKSLNUBIPQC-UHFFFAOYSA-N
MW268.35 g/mol
LogP0.99
Rot. Bonds6

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

[4-ethyl-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 63313954) has the molecular formula C10H16N6OS and a molecular weight of 268.35 g/mol. Its IUPAC name is [4-ethyl-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID63313954
Molecular FormulaC10H16N6OS
Molecular Weight268.35 g/mol
Exact Mass268.11
IUPAC Name[4-ethyl-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
SMILESCCc1nc(CSc2nnc(CN)n2CC)no1
InChIInChI=1S/C10H16N6OS/c1-3-9-12-7(15-17-9)6-18-10-14-13-8(5-11)16(10)4-2/h3-6,11H2,1-2H3
InChIKeyWWJGKSLNUBIPQC-UHFFFAOYSA-N
XLogP0.99
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-ethyl-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine (CID 63313954) is [4-ethyl-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-ethyl-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-ethyl-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine is CCc1nc(CSc2nnc(CN)n2CC)no1.
What is the InChIKey of [4-ethyl-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is WWJGKSLNUBIPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6OS/c1-3-9-12-7(15-17-9)6-18-10-14-13-8(5-11)16(10)4-2/h3-6,11H2,1-2H3.
What are the key properties of [4-ethyl-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine?
[4-ethyl-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 268.35 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 63313954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).