5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine

C8H9N3S — CID 21031512

IUPAC5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncnn2ccc(C)c12
InChIInChI=1S/C8H9N3S/c1-6-3-4-11-7(6)8(12-2)9-5-10-11/h3-5H,1-2H3
InChIKeyQYEJRILORDMTIT-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.76
Rot. Bonds1

About 5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine

5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 21031512) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID21031512
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncnn2ccc(C)c12
InChIInChI=1S/C8H9N3S/c1-6-3-4-11-7(6)8(12-2)9-5-10-11/h3-5H,1-2H3
InChIKeyQYEJRILORDMTIT-UHFFFAOYSA-N
XLogP1.76
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine (CID 21031512) is 5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine is CSc1ncnn2ccc(C)c12.
What is the InChIKey of 5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is QYEJRILORDMTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-6-3-4-11-7(6)8(12-2)9-5-10-11/h3-5H,1-2H3.
What are the key properties of 5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 179.25 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 21031512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).