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

C7H7N3S — CID 90129427

IUPAC4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncnn2cccc12
InChIInChI=1S/C7H7N3S/c1-11-7-6-3-2-4-10(6)9-5-8-7/h2-5H,1H3
InChIKeyNZVMANGDZUBESL-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.45
Rot. Bonds1

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

4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 90129427) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID90129427
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncnn2cccc12
InChIInChI=1S/C7H7N3S/c1-11-7-6-3-2-4-10(6)9-5-8-7/h2-5H,1H3
InChIKeyNZVMANGDZUBESL-UHFFFAOYSA-N
XLogP1.45
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine (CID 90129427) is 4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine is CSc1ncnn2cccc12.
What is the InChIKey of 4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is NZVMANGDZUBESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-11-7-6-3-2-4-10(6)9-5-8-7/h2-5H,1H3.
What are the key properties of 4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 165.22 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 90129427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).