3-propylsulfanyl-1,2,4-triazol-4-amine

C5H10N4S — CID 3873944

IUPAC3-propylsulfanyl-1,2,4-triazol-4-amine
SMILESCCCSc1nncn1N
InChIInChI=1S/C5H10N4S/c1-2-3-10-5-8-7-4-9(5)6/h4H,2-3,6H2,1H3
InChIKeyXHOLOQCEPGYRAB-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.49
Rot. Bonds3

About 3-propylsulfanyl-1,2,4-triazol-4-amine

3-propylsulfanyl-1,2,4-triazol-4-amine (PubChem CID 3873944) has the molecular formula C5H10N4S and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-propylsulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-propylsulfanyl-1,2,4-triazol-4-amine
PubChem CID3873944
Molecular FormulaC5H10N4S
Molecular Weight158.23 g/mol
Exact Mass158.06
IUPAC Name3-propylsulfanyl-1,2,4-triazol-4-amine
SMILESCCCSc1nncn1N
InChIInChI=1S/C5H10N4S/c1-2-3-10-5-8-7-4-9(5)6/h4H,2-3,6H2,1H3
InChIKeyXHOLOQCEPGYRAB-UHFFFAOYSA-N
XLogP0.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propylsulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-propylsulfanyl-1,2,4-triazol-4-amine (CID 3873944) is 3-propylsulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-propylsulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-propylsulfanyl-1,2,4-triazol-4-amine is CCCSc1nncn1N.
What is the InChIKey of 3-propylsulfanyl-1,2,4-triazol-4-amine?
The InChIKey is XHOLOQCEPGYRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S/c1-2-3-10-5-8-7-4-9(5)6/h4H,2-3,6H2,1H3.
What are the key properties of 3-propylsulfanyl-1,2,4-triazol-4-amine?
3-propylsulfanyl-1,2,4-triazol-4-amine has a molecular weight of 158.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylsulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 3873944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).