2-methylsulfanyl-7-pyrazin-2-ylpyrrolo[2,1-f][1,2,4]triazine

C11H9N5S — CID 57416125

IUPAC2-methylsulfanyl-7-pyrazin-2-ylpyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncc2ccc(-c3cnccn3)n2n1
InChIInChI=1S/C11H9N5S/c1-17-11-14-6-8-2-3-10(16(8)15-11)9-7-12-4-5-13-9/h2-7H,1H3
InChIKeyKMNSKURWPZVVMS-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.91
Rot. Bonds2

About 2-methylsulfanyl-7-pyrazin-2-ylpyrrolo[2,1-f][1,2,4]triazine

2-methylsulfanyl-7-pyrazin-2-ylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 57416125) has the molecular formula C11H9N5S and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-methylsulfanyl-7-pyrazin-2-ylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name2-methylsulfanyl-7-pyrazin-2-ylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID57416125
Molecular FormulaC11H9N5S
Molecular Weight243.30 g/mol
Exact Mass243.06
IUPAC Name2-methylsulfanyl-7-pyrazin-2-ylpyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncc2ccc(-c3cnccn3)n2n1
InChIInChI=1S/C11H9N5S/c1-17-11-14-6-8-2-3-10(16(8)15-11)9-7-12-4-5-13-9/h2-7H,1H3
InChIKeyKMNSKURWPZVVMS-UHFFFAOYSA-N
XLogP1.91
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-7-pyrazin-2-ylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 2-methylsulfanyl-7-pyrazin-2-ylpyrrolo[2,1-f][1,2,4]triazine (CID 57416125) is 2-methylsulfanyl-7-pyrazin-2-ylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 2-methylsulfanyl-7-pyrazin-2-ylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 2-methylsulfanyl-7-pyrazin-2-ylpyrrolo[2,1-f][1,2,4]triazine is CSc1ncc2ccc(-c3cnccn3)n2n1.
What is the InChIKey of 2-methylsulfanyl-7-pyrazin-2-ylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is KMNSKURWPZVVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S/c1-17-11-14-6-8-2-3-10(16(8)15-11)9-7-12-4-5-13-9/h2-7H,1H3.
What are the key properties of 2-methylsulfanyl-7-pyrazin-2-ylpyrrolo[2,1-f][1,2,4]triazine?
2-methylsulfanyl-7-pyrazin-2-ylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 243.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-7-pyrazin-2-ylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 57416125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).