(4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanamine

C8H10N4S — CID 89186795

IUPAC(4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanamine
SMILESCSc1ncnn2ccc(CN)c12
InChIInChI=1S/C8H10N4S/c1-13-8-7-6(4-9)2-3-12(7)11-5-10-8/h2-3,5H,4,9H2,1H3
InChIKeyHIQIYFKPMNFOOW-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.91
Rot. Bonds2

About (4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanamine

(4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanamine (PubChem CID 89186795) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is (4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanamine.

Molecular Properties

Compound Name(4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanamine
PubChem CID89186795
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name(4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanamine
SMILESCSc1ncnn2ccc(CN)c12
InChIInChI=1S/C8H10N4S/c1-13-8-7-6(4-9)2-3-12(7)11-5-10-8/h2-3,5H,4,9H2,1H3
InChIKeyHIQIYFKPMNFOOW-UHFFFAOYSA-N
XLogP0.91
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanamine?
The IUPAC name of (4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanamine (CID 89186795) is (4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanamine.
What is the SMILES notation for (4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanamine?
The canonical SMILES for (4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanamine is CSc1ncnn2ccc(CN)c12.
What is the InChIKey of (4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanamine?
The InChIKey is HIQIYFKPMNFOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-13-8-7-6(4-9)2-3-12(7)11-5-10-8/h2-3,5H,4,9H2,1H3.
What are the key properties of (4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanamine?
(4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanamine has a molecular weight of 194.26 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanamine is sourced from PubChem (CID 89186795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).