5-(oxan-3-ylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine

C10H18N4OS — CID 107134964

IUPAC5-(oxan-3-ylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)n1c(N)nnc1SC1CCCOC1
InChIInChI=1S/C10H18N4OS/c1-7(2)14-9(11)12-13-10(14)16-8-4-3-5-15-6-8/h7-8H,3-6H2,1-2H3,(H2,11,12)
InChIKeyJRLYEIMRXBEMAG-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.71
Rot. Bonds3

About 5-(oxan-3-ylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine

5-(oxan-3-ylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 107134964) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 5-(oxan-3-ylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(oxan-3-ylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID107134964
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name5-(oxan-3-ylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)n1c(N)nnc1SC1CCCOC1
InChIInChI=1S/C10H18N4OS/c1-7(2)14-9(11)12-13-10(14)16-8-4-3-5-15-6-8/h7-8H,3-6H2,1-2H3,(H2,11,12)
InChIKeyJRLYEIMRXBEMAG-UHFFFAOYSA-N
XLogP1.71
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-cycloheptylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 82929340
5-(oxan-3-ylsulfanyl)pyridin-2-amine
CID 107134956
4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine
CID 64534933
4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine
CID 63095762
1-(oxan-3-ylsulfanyl)propan-2-amine
CID 107134973
5-(2-piperidin-4-ylethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
CID 105061346
5-[2-(methylamino)ethylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 63095774
3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide
CID 63095245
[5-(3,4-dimethylcyclohexyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 64740761
5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
CID 66364362
4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine
CID 63558955
4-propan-2-yl-5-[(3-propan-2-ylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine
CID 66153258

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-3-ylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(oxan-3-ylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine (CID 107134964) is 5-(oxan-3-ylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(oxan-3-ylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(oxan-3-ylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine is CC(C)n1c(N)nnc1SC1CCCOC1.
What is the InChIKey of 5-(oxan-3-ylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is JRLYEIMRXBEMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7(2)14-9(11)12-13-10(14)16-8-4-3-5-15-6-8/h7-8H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of 5-(oxan-3-ylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine?
5-(oxan-3-ylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 242.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-3-ylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 107134964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).