7-(4-fluoro-2-methoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine

C14H12FN3O2S — CID 66711648

IUPAC7-(4-fluoro-2-methoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cc(F)ccc1-c1ccc2cnc(S(C)=O)nn12
InChIInChI=1S/C14H12FN3O2S/c1-20-13-7-9(15)3-5-11(13)12-6-4-10-8-16-14(21(2)19)17-18(10)12/h3-8H,1-2H3
InChIKeyVDRPZSDJJGLZPQ-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.28
Rot. Bonds3

About 7-(4-fluoro-2-methoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine

7-(4-fluoro-2-methoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 66711648) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is 7-(4-fluoro-2-methoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-(4-fluoro-2-methoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID66711648
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC Name7-(4-fluoro-2-methoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cc(F)ccc1-c1ccc2cnc(S(C)=O)nn12
InChIInChI=1S/C14H12FN3O2S/c1-20-13-7-9(15)3-5-11(13)12-6-4-10-8-16-14(21(2)19)17-18(10)12/h3-8H,1-2H3
InChIKeyVDRPZSDJJGLZPQ-UHFFFAOYSA-N
XLogP2.28
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine (CID 66711648) is 7-(4-fluoro-2-methoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 7-(4-fluoro-2-methoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 7-(4-fluoro-2-methoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine is COc1cc(F)ccc1-c1ccc2cnc(S(C)=O)nn12.
What is the InChIKey of 7-(4-fluoro-2-methoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is VDRPZSDJJGLZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c1-20-13-7-9(15)3-5-11(13)12-6-4-10-8-16-14(21(2)19)17-18(10)12/h3-8H,1-2H3.
What are the key properties of 7-(4-fluoro-2-methoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine?
7-(4-fluoro-2-methoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 305.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-2-methoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 66711648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).