4-methylsulfanylimidazo[2,1-f][1,2,4]triazine

C6H6N4S — CID 10511254

IUPAC4-methylsulfanylimidazo[2,1-f][1,2,4]triazine
SMILESCSc1ncnn2ccnc12
InChIInChI=1S/C6H6N4S/c1-11-6-5-7-2-3-10(5)9-4-8-6/h2-4H,1H3
InChIKeyAZDRRFIXRWJRHN-UHFFFAOYSA-N
MW166.21 g/mol
LogP0.85
Rot. Bonds1

About 4-methylsulfanylimidazo[2,1-f][1,2,4]triazine

4-methylsulfanylimidazo[2,1-f][1,2,4]triazine (PubChem CID 10511254) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 4-methylsulfanylimidazo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-methylsulfanylimidazo[2,1-f][1,2,4]triazine
PubChem CID10511254
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name4-methylsulfanylimidazo[2,1-f][1,2,4]triazine
SMILESCSc1ncnn2ccnc12
InChIInChI=1S/C6H6N4S/c1-11-6-5-7-2-3-10(5)9-4-8-6/h2-4H,1H3
InChIKeyAZDRRFIXRWJRHN-UHFFFAOYSA-N
XLogP0.85
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylimidazo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-methylsulfanylimidazo[2,1-f][1,2,4]triazine (CID 10511254) is 4-methylsulfanylimidazo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-methylsulfanylimidazo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-methylsulfanylimidazo[2,1-f][1,2,4]triazine is CSc1ncnn2ccnc12.
What is the InChIKey of 4-methylsulfanylimidazo[2,1-f][1,2,4]triazine?
The InChIKey is AZDRRFIXRWJRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-11-6-5-7-2-3-10(5)9-4-8-6/h2-4H,1H3.
What are the key properties of 4-methylsulfanylimidazo[2,1-f][1,2,4]triazine?
4-methylsulfanylimidazo[2,1-f][1,2,4]triazine has a molecular weight of 166.21 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylimidazo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 10511254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).