7-(2,6-dimethoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine

C15H15N3O3S — CID 66711251

IUPAC7-(2,6-dimethoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cccc(OC)c1-c1ccc2cnc(S(C)=O)nn12
InChIInChI=1S/C15H15N3O3S/c1-20-12-5-4-6-13(21-2)14(12)11-8-7-10-9-16-15(22(3)19)17-18(10)11/h4-9H,1-3H3
InChIKeyJWENGWHQKDVJJS-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.15
Rot. Bonds4

About 7-(2,6-dimethoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine

7-(2,6-dimethoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 66711251) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 7-(2,6-dimethoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-(2,6-dimethoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID66711251
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name7-(2,6-dimethoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cccc(OC)c1-c1ccc2cnc(S(C)=O)nn12
InChIInChI=1S/C15H15N3O3S/c1-20-12-5-4-6-13(21-2)14(12)11-8-7-10-9-16-15(22(3)19)17-18(10)11/h4-9H,1-3H3
InChIKeyJWENGWHQKDVJJS-UHFFFAOYSA-N
XLogP2.15
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 7-(2,6-dimethoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine (CID 66711251) is 7-(2,6-dimethoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 7-(2,6-dimethoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 7-(2,6-dimethoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine is COc1cccc(OC)c1-c1ccc2cnc(S(C)=O)nn12.
What is the InChIKey of 7-(2,6-dimethoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is JWENGWHQKDVJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-20-12-5-4-6-13(21-2)14(12)11-8-7-10-9-16-15(22(3)19)17-18(10)11/h4-9H,1-3H3.
What are the key properties of 7-(2,6-dimethoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine?
7-(2,6-dimethoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 317.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethoxyphenyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 66711251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).