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

C9H11N3S — CID 59680957

IUPAC5-ethyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
SMILESCCc1ccn2ncnc(SC)c12
InChIInChI=1S/C9H11N3S/c1-3-7-4-5-12-8(7)9(13-2)10-6-11-12/h4-6H,3H2,1-2H3
InChIKeyOFCGJXVITUYJRD-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.01
Rot. Bonds2

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

5-ethyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 59680957) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 5-ethyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name5-ethyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID59680957
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name5-ethyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
SMILESCCc1ccn2ncnc(SC)c12
InChIInChI=1S/C9H11N3S/c1-3-7-4-5-12-8(7)9(13-2)10-6-11-12/h4-6H,3H2,1-2H3
InChIKeyOFCGJXVITUYJRD-UHFFFAOYSA-N
XLogP2.01
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 5-ethyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine (CID 59680957) is 5-ethyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 5-ethyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 5-ethyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine is CCc1ccn2ncnc(SC)c12.
What is the InChIKey of 5-ethyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is OFCGJXVITUYJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-3-7-4-5-12-8(7)9(13-2)10-6-11-12/h4-6H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
5-ethyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 193.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 59680957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).