7-(6-methoxy-3-pyridinyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine

C13H12N4O2S — CID 66710847

IUPAC7-(6-methoxy-3-pyridinyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1ccc(-c2ccc3cnc(S(C)=O)nn23)cn1
InChIInChI=1S/C13H12N4O2S/c1-19-12-6-3-9(7-14-12)11-5-4-10-8-15-13(20(2)18)16-17(10)11/h3-8H,1-2H3
InChIKeyMPBYAGRQDUFWIT-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.54
Rot. Bonds3

About 7-(6-methoxy-3-pyridinyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine

7-(6-methoxy-3-pyridinyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 66710847) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID66710847
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name7-(6-methoxy-3-pyridinyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1ccc(-c2ccc3cnc(S(C)=O)nn23)cn1
InChIInChI=1S/C13H12N4O2S/c1-19-12-6-3-9(7-14-12)11-5-4-10-8-15-13(20(2)18)16-17(10)11/h3-8H,1-2H3
InChIKeyMPBYAGRQDUFWIT-UHFFFAOYSA-N
XLogP1.54
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(6-methoxy-3-pyridinyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390672
N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390673
2-Fluoro-4-[6-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl methyl ether
CID 1472930
6-(3-Methoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 620319
5-(1H-imidazol-1-ylmethyl)-6'-methoxy-2,3'-bipyridine
CID 67516160
6-(6-Methoxy-3-pyridyl)-3-(4-pyridyl)imidazo[1,2-b]pyridazine
CID 90670256
7H-Imidazo[4,5-c]pyridazine, 7-ethyl-4-(2-methoxy-4-pyridinyl)-
CID 155539210
N-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]methanesulfonamide
CID 155540037
N-[2-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-pyridinyl]methanesulfonamide
CID 155540908
N-(2-methoxy-5-pyrazolo[1,5-a]pyrimidin-5-yl-3-pyridinyl)methanesulfonamide
CID 155564202
1-[5-(6-Methoxy-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine
CID 168282331
3-(2-Methoxy-3-pyridinyl)imidazo[1,2-b]pyridazine
CID 49786809

Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-3-pyridinyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine (CID 66710847) is 7-(6-methoxy-3-pyridinyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine is COc1ccc(-c2ccc3cnc(S(C)=O)nn23)cn1.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is MPBYAGRQDUFWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-19-12-6-3-9(7-14-12)11-5-4-10-8-15-13(20(2)18)16-17(10)11/h3-8H,1-2H3.
What are the key properties of 7-(6-methoxy-3-pyridinyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine?
7-(6-methoxy-3-pyridinyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 288.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-3-pyridinyl)-2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 66710847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).