1-methylsulfanyltriazole

C3H5N3S — CID 18425869

IUPAC1-methylsulfanyltriazole
SMILESCSn1ccnn1
InChIInChI=1S/C3H5N3S/c1-7-6-3-2-4-5-6/h2-3H,1H3
InChIKeyHRNBIGXXDJBZRY-UHFFFAOYSA-N
MW115.16 g/mol
LogP0.40
Rot. Bonds1

About 1-methylsulfanyltriazole

1-methylsulfanyltriazole (PubChem CID 18425869) has the molecular formula C3H5N3S and a molecular weight of 115.16 g/mol. Its IUPAC name is 1-methylsulfanyltriazole.

Molecular Properties

Compound Name1-methylsulfanyltriazole
PubChem CID18425869
Molecular FormulaC3H5N3S
Molecular Weight115.16 g/mol
Exact Mass115.02
IUPAC Name1-methylsulfanyltriazole
SMILESCSn1ccnn1
InChIInChI=1S/C3H5N3S/c1-7-6-3-2-4-5-6/h2-3H,1H3
InChIKeyHRNBIGXXDJBZRY-UHFFFAOYSA-N
XLogP0.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyltriazole?
The IUPAC name of 1-methylsulfanyltriazole (CID 18425869) is 1-methylsulfanyltriazole.
What is the SMILES notation for 1-methylsulfanyltriazole?
The canonical SMILES for 1-methylsulfanyltriazole is CSn1ccnn1.
What is the InChIKey of 1-methylsulfanyltriazole?
The InChIKey is HRNBIGXXDJBZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3S/c1-7-6-3-2-4-5-6/h2-3H,1H3.
What are the key properties of 1-methylsulfanyltriazole?
1-methylsulfanyltriazole has a molecular weight of 115.16 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyltriazole is sourced from PubChem (CID 18425869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).