6-methoxy-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine

C15H22N6O3S — CID 164758148

IUPAC6-methoxy-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cn2ncnc(N3CC4(CC(N(C)S(N)(=O)=O)C4)C3)c2c1C
InChIInChI=1S/C15H22N6O3S/c1-10-12(24-3)6-21-13(10)14(17-9-18-21)20-7-15(8-20)4-11(5-15)19(2)25(16,22)23/h6,9,11H,4-5,7-8H2,1-3H3,(H2,16,22,23)
InChIKeyLHLHEUQFLDEUAA-UHFFFAOYSA-N
MW366.45 g/mol
LogP0.15
Rot. Bonds4

About 6-methoxy-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine

6-methoxy-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 164758148) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is 6-methoxy-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name6-methoxy-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
PubChem CID164758148
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC Name6-methoxy-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cn2ncnc(N3CC4(CC(N(C)S(N)(=O)=O)C4)C3)c2c1C
InChIInChI=1S/C15H22N6O3S/c1-10-12(24-3)6-21-13(10)14(17-9-18-21)20-7-15(8-20)4-11(5-15)19(2)25(16,22)23/h6,9,11H,4-5,7-8H2,1-3H3,(H2,16,22,23)
InChIKeyLHLHEUQFLDEUAA-UHFFFAOYSA-N
XLogP0.15
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 6-methoxy-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine (CID 164758148) is 6-methoxy-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 6-methoxy-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 6-methoxy-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine is COc1cn2ncnc(N3CC4(CC(N(C)S(N)(=O)=O)C4)C3)c2c1C.
What is the InChIKey of 6-methoxy-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is LHLHEUQFLDEUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-10-12(24-3)6-21-13(10)14(17-9-18-21)20-7-15(8-20)4-11(5-15)19(2)25(16,22)23/h6,9,11H,4-5,7-8H2,1-3H3,(H2,16,22,23).
What are the key properties of 6-methoxy-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
6-methoxy-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 366.45 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 164758148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).