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

C16H24N6O3S — CID 164757972

IUPAC6-methoxy-2,5-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cn2nc(C)nc(N3CC4(CC(N(C)S(N)(=O)=O)C4)C3)c2c1C
InChIInChI=1S/C16H24N6O3S/c1-10-13(25-4)7-22-14(10)15(18-11(2)19-22)21-8-16(9-21)5-12(6-16)20(3)26(17,23)24/h7,12H,5-6,8-9H2,1-4H3,(H2,17,23,24)
InChIKeyQMDXLXRFLZAAKE-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.46
Rot. Bonds4

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

6-methoxy-2,5-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 164757972) has the molecular formula C16H24N6O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 6-methoxy-2,5-dimethyl-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-2,5-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
PubChem CID164757972
Molecular FormulaC16H24N6O3S
Molecular Weight380.47 g/mol
Exact Mass380.16
IUPAC Name6-methoxy-2,5-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cn2nc(C)nc(N3CC4(CC(N(C)S(N)(=O)=O)C4)C3)c2c1C
InChIInChI=1S/C16H24N6O3S/c1-10-13(25-4)7-22-14(10)15(18-11(2)19-22)21-8-16(9-21)5-12(6-16)20(3)26(17,23)24/h7,12H,5-6,8-9H2,1-4H3,(H2,17,23,24)
InChIKeyQMDXLXRFLZAAKE-UHFFFAOYSA-N
XLogP0.46
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,5-dimethyl-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-2,5-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine (CID 164757972) is 6-methoxy-2,5-dimethyl-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-2,5-dimethyl-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-2,5-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine is COc1cn2nc(C)nc(N3CC4(CC(N(C)S(N)(=O)=O)C4)C3)c2c1C.
What is the InChIKey of 6-methoxy-2,5-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is QMDXLXRFLZAAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3S/c1-10-13(25-4)7-22-14(10)15(18-11(2)19-22)21-8-16(9-21)5-12(6-16)20(3)26(17,23)24/h7,12H,5-6,8-9H2,1-4H3,(H2,17,23,24).
What are the key properties of 6-methoxy-2,5-dimethyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
6-methoxy-2,5-dimethyl-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 380.47 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,5-dimethyl-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 164757972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).