3-(oxolan-2-ylsulfanyl)-1,2,4-triazol-4-amine

C6H10N4OS — CID 130658979

IUPAC3-(oxolan-2-ylsulfanyl)-1,2,4-triazol-4-amine
SMILESNn1cnnc1SC1CCCO1
InChIInChI=1S/C6H10N4OS/c7-10-4-8-9-6(10)12-5-2-1-3-11-5/h4-5H,1-3,7H2
InChIKeyXKRPKFPIPPMNCG-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.22
Rot. Bonds2

About 3-(oxolan-2-ylsulfanyl)-1,2,4-triazol-4-amine

3-(oxolan-2-ylsulfanyl)-1,2,4-triazol-4-amine (PubChem CID 130658979) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-(oxolan-2-ylsulfanyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(oxolan-2-ylsulfanyl)-1,2,4-triazol-4-amine
PubChem CID130658979
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name3-(oxolan-2-ylsulfanyl)-1,2,4-triazol-4-amine
SMILESNn1cnnc1SC1CCCO1
InChIInChI=1S/C6H10N4OS/c7-10-4-8-9-6(10)12-5-2-1-3-11-5/h4-5H,1-3,7H2
InChIKeyXKRPKFPIPPMNCG-UHFFFAOYSA-N
XLogP0.22
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylsulfanyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(oxolan-2-ylsulfanyl)-1,2,4-triazol-4-amine (CID 130658979) is 3-(oxolan-2-ylsulfanyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(oxolan-2-ylsulfanyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(oxolan-2-ylsulfanyl)-1,2,4-triazol-4-amine is Nn1cnnc1SC1CCCO1.
What is the InChIKey of 3-(oxolan-2-ylsulfanyl)-1,2,4-triazol-4-amine?
The InChIKey is XKRPKFPIPPMNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c7-10-4-8-9-6(10)12-5-2-1-3-11-5/h4-5H,1-3,7H2.
What are the key properties of 3-(oxolan-2-ylsulfanyl)-1,2,4-triazol-4-amine?
3-(oxolan-2-ylsulfanyl)-1,2,4-triazol-4-amine has a molecular weight of 186.24 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylsulfanyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 130658979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).