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

C14H13N3O3S — CID 66712321

IUPAC7-(2-methoxyphenyl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1ccccc1-c1ccc2cnc(S(C)(=O)=O)nn12
InChIInChI=1S/C14H13N3O3S/c1-20-13-6-4-3-5-11(13)12-8-7-10-9-15-14(16-17(10)12)21(2,18)19/h3-9H,1-2H3
InChIKeyBRTWTBXLWHSEFO-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.81
Rot. Bonds3

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

7-(2-methoxyphenyl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 66712321) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID66712321
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name7-(2-methoxyphenyl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1ccccc1-c1ccc2cnc(S(C)(=O)=O)nn12
InChIInChI=1S/C14H13N3O3S/c1-20-13-6-4-3-5-11(13)12-8-7-10-9-15-14(16-17(10)12)21(2,18)19/h3-9H,1-2H3
InChIKeyBRTWTBXLWHSEFO-UHFFFAOYSA-N
XLogP1.81
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 7-(2-methoxyphenyl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine (CID 66712321) is 7-(2-methoxyphenyl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 7-(2-methoxyphenyl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 7-(2-methoxyphenyl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine is COc1ccccc1-c1ccc2cnc(S(C)(=O)=O)nn12.
What is the InChIKey of 7-(2-methoxyphenyl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is BRTWTBXLWHSEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-20-13-6-4-3-5-11(13)12-8-7-10-9-15-14(16-17(10)12)21(2,18)19/h3-9H,1-2H3.
What are the key properties of 7-(2-methoxyphenyl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine?
7-(2-methoxyphenyl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 303.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 66712321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).