5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine

C10H14N6OS2 — CID 103344457

IUPAC5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCC1SCC(c2noc(-c3nc(N)n[nH]3)n2)SC1C
InChIInChI=1S/C10H14N6OS2/c1-4-5(2)19-6(3-18-4)7-12-9(17-16-7)8-13-10(11)15-14-8/h4-6H,3H2,1-2H3,(H3,11,13,14,15)
InChIKeyMPJOLOAQQJCSHF-UHFFFAOYSA-N
MW298.40 g/mol
LogP1.74
Rot. Bonds2

About 5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine

5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 103344457) has the molecular formula C10H14N6OS2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
PubChem CID103344457
Molecular FormulaC10H14N6OS2
Molecular Weight298.40 g/mol
Exact Mass298.07
IUPAC Name5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCC1SCC(c2noc(-c3nc(N)n[nH]3)n2)SC1C
InChIInChI=1S/C10H14N6OS2/c1-4-5(2)19-6(3-18-4)7-12-9(17-16-7)8-13-10(11)15-14-8/h4-6H,3H2,1-2H3,(H3,11,13,14,15)
InChIKeyMPJOLOAQQJCSHF-UHFFFAOYSA-N
XLogP1.74
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine with MolForge

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Related Compounds

5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 65421017
4-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103344481
5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 62794225
3-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103344373
2-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 103344533
4-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 103344502
2-amino-6-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136831419
2-[4-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
CID 103344350
5-bromo-2-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103344433
5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
CID 65392279
[5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 103344546
4-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904556

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (CID 103344457) is 5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is CC1SCC(c2noc(-c3nc(N)n[nH]3)n2)SC1C.
What is the InChIKey of 5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is MPJOLOAQQJCSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS2/c1-4-5(2)19-6(3-18-4)7-12-9(17-16-7)8-13-10(11)15-14-8/h4-6H,3H2,1-2H3,(H3,11,13,14,15).
What are the key properties of 5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 298.40 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 103344457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).