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

C10H16N6O2S — CID 62882204

IUPAC3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(SCc2nc(C(C)(C)N)no2)n[nH]c1=O
InChIInChI=1S/C10H16N6O2S/c1-4-16-8(17)13-14-9(16)19-5-6-12-7(15-18-6)10(2,3)11/h4-5,11H2,1-3H3,(H,13,17)
InChIKeyLSRALXJSFGFRIZ-UHFFFAOYSA-N
MW284.35 g/mol
LogP0.46
Rot. Bonds5

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

3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one (PubChem CID 62882204) has the molecular formula C10H16N6O2S and a molecular weight of 284.35 g/mol. Its IUPAC name is 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
PubChem CID62882204
Molecular FormulaC10H16N6O2S
Molecular Weight284.35 g/mol
Exact Mass284.11
IUPAC Name3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(SCc2nc(C(C)(C)N)no2)n[nH]c1=O
InChIInChI=1S/C10H16N6O2S/c1-4-16-8(17)13-14-9(16)19-5-6-12-7(15-18-6)10(2,3)11/h4-5,11H2,1-3H3,(H,13,17)
InChIKeyLSRALXJSFGFRIZ-UHFFFAOYSA-N
XLogP0.46
TPSA115.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

4-butyl-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 46529954
2-amino-3-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-methylpropanoic acid
CID 62882041
3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 80614366
[5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313722
3-[[5-(aminomethyl)furan-2-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 113372569
2-amino-4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-methylbutanoic acid
CID 55129288
4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 79774994
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 38871235
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 17443793
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-ethylquinazolin-4-one
CID 31530367
3-[[3-chloro-6-(ethylamino)-2-pyridinyl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 62887081
2-amino-6-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-methylhexanoic acid
CID 62883988

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one (CID 62882204) is 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one is CCn1c(SCc2nc(C(C)(C)N)no2)n[nH]c1=O.
What is the InChIKey of 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one?
The InChIKey is LSRALXJSFGFRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-4-16-8(17)13-14-9(16)19-5-6-12-7(15-18-6)10(2,3)11/h4-5,11H2,1-3H3,(H,13,17).
What are the key properties of 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one?
3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one has a molecular weight of 284.35 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 62882204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).