6-methoxy-5-methyl-4-[3-methyl-3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine

C15H24N6O3S — CID 163275547

IUPAC6-methoxy-5-methyl-4-[3-methyl-3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cn2ncnc(N3CC(C)(CCN(C)S(N)(=O)=O)C3)c2c1C
InChIInChI=1S/C15H24N6O3S/c1-11-12(24-4)7-21-13(11)14(17-10-18-21)20-8-15(2,9-20)5-6-19(3)25(16,22)23/h7,10H,5-6,8-9H2,1-4H3,(H2,16,22,23)
InChIKeyMXYNQAQMYVJLTF-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.40
Rot. Bonds6

About 6-methoxy-5-methyl-4-[3-methyl-3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine

6-methoxy-5-methyl-4-[3-methyl-3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 163275547) has the molecular formula C15H24N6O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 6-methoxy-5-methyl-4-[3-methyl-3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name6-methoxy-5-methyl-4-[3-methyl-3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine
PubChem CID163275547
Molecular FormulaC15H24N6O3S
Molecular Weight368.46 g/mol
Exact Mass368.16
IUPAC Name6-methoxy-5-methyl-4-[3-methyl-3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cn2ncnc(N3CC(C)(CCN(C)S(N)(=O)=O)C3)c2c1C
InChIInChI=1S/C15H24N6O3S/c1-11-12(24-4)7-21-13(11)14(17-10-18-21)20-8-15(2,9-20)5-6-19(3)25(16,22)23/h7,10H,5-6,8-9H2,1-4H3,(H2,16,22,23)
InChIKeyMXYNQAQMYVJLTF-UHFFFAOYSA-N
XLogP0.40
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.40
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-[3-methyl-3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 6-methoxy-5-methyl-4-[3-methyl-3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine (CID 163275547) is 6-methoxy-5-methyl-4-[3-methyl-3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 6-methoxy-5-methyl-4-[3-methyl-3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 6-methoxy-5-methyl-4-[3-methyl-3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine is COc1cn2ncnc(N3CC(C)(CCN(C)S(N)(=O)=O)C3)c2c1C.
What is the InChIKey of 6-methoxy-5-methyl-4-[3-methyl-3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is MXYNQAQMYVJLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O3S/c1-11-12(24-4)7-21-13(11)14(17-10-18-21)20-8-15(2,9-20)5-6-19(3)25(16,22)23/h7,10H,5-6,8-9H2,1-4H3,(H2,16,22,23).
What are the key properties of 6-methoxy-5-methyl-4-[3-methyl-3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine?
6-methoxy-5-methyl-4-[3-methyl-3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 368.46 g/mol, XLogP of 0.40, 6 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-[3-methyl-3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 163275547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).