5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine

C7H10N6OS — CID 65131001

IUPAC5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCCSCc1noc(-c2nc(N)n[nH]2)n1
InChIInChI=1S/C7H10N6OS/c1-2-15-3-4-9-6(14-13-4)5-10-7(8)12-11-5/h2-3H2,1H3,(H3,8,10,11,12)
InChIKeyQWKNLAKMXAEQSI-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.69
Rot. Bonds4

About 5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine

5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 65131001) has the molecular formula C7H10N6OS and a molecular weight of 226.26 g/mol. Its IUPAC name is 5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
PubChem CID65131001
Molecular FormulaC7H10N6OS
Molecular Weight226.26 g/mol
Exact Mass226.06
IUPAC Name5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCCSCc1noc(-c2nc(N)n[nH]2)n1
InChIInChI=1S/C7H10N6OS/c1-2-15-3-4-9-6(14-13-4)5-10-7(8)12-11-5/h2-3H2,1H3,(H3,8,10,11,12)
InChIKeyQWKNLAKMXAEQSI-UHFFFAOYSA-N
XLogP0.69
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 102926611
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3,5-difluoroaniline
CID 114217301
5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 55115296
5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65131006
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 65130994
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 65130936
4-bromo-2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65131124
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 62793211
5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 65421017
5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole
CID 65127613
(1S)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104881157
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 116743167

Frequently Asked Questions

What is the IUPAC name of 5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (CID 65131001) is 5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is CCSCc1noc(-c2nc(N)n[nH]2)n1.
What is the InChIKey of 5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is QWKNLAKMXAEQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6OS/c1-2-15-3-4-9-6(14-13-4)5-10-7(8)12-11-5/h2-3H2,1H3,(H3,8,10,11,12).
What are the key properties of 5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 226.26 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 65131001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).