7-chloro-5-methyl-4-[6-(sulfamoylamino)-2-azaspiro[3.4]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazine

C14H19ClN6O2S — CID 164758218

IUPAC7-chloro-5-methyl-4-[6-(sulfamoylamino)-2-azaspiro[3.4]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc(Cl)n2ncnc(N3CC4(CCC(NS(N)(=O)=O)C4)C3)c12
InChIInChI=1S/C14H19ClN6O2S/c1-9-4-11(15)21-12(9)13(17-8-18-21)20-6-14(7-20)3-2-10(5-14)19-24(16,22)23/h4,8,10,19H,2-3,5-7H2,1H3,(H2,16,22,23)
InChIKeyLGWUXNHMQMXDPX-UHFFFAOYSA-N
MW370.87 g/mol
LogP0.84
Rot. Bonds3

About 7-chloro-5-methyl-4-[6-(sulfamoylamino)-2-azaspiro[3.4]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazine

7-chloro-5-methyl-4-[6-(sulfamoylamino)-2-azaspiro[3.4]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 164758218) has the molecular formula C14H19ClN6O2S and a molecular weight of 370.87 g/mol. Its IUPAC name is 7-chloro-5-methyl-4-[6-(sulfamoylamino)-2-azaspiro[3.4]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-chloro-5-methyl-4-[6-(sulfamoylamino)-2-azaspiro[3.4]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
PubChem CID164758218
Molecular FormulaC14H19ClN6O2S
Molecular Weight370.87 g/mol
Exact Mass370.10
IUPAC Name7-chloro-5-methyl-4-[6-(sulfamoylamino)-2-azaspiro[3.4]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc(Cl)n2ncnc(N3CC4(CCC(NS(N)(=O)=O)C4)C3)c12
InChIInChI=1S/C14H19ClN6O2S/c1-9-4-11(15)21-12(9)13(17-8-18-21)20-6-14(7-20)3-2-10(5-14)19-24(16,22)23/h4,8,10,19H,2-3,5-7H2,1H3,(H2,16,22,23)
InChIKeyLGWUXNHMQMXDPX-UHFFFAOYSA-N
XLogP0.84
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-Chloro-4-[6-[2,2-difluoropropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine
CID 163274595
7-Chloro-4-[6-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine
CID 163274634
7-Chloro-5-methyl-4-[6-[sulfamoyl(2,2,2-trifluoroethyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 163274873
7-Fluoro-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 163275012
7-Chloro-5-methyl-4-[6-[sulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 163275061
7-Chloro-5-methyl-4-[6-[sulfamoyl(3,3,3-trifluoropropyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 163275080
7-Chloro-5-methyl-4-[6-[sulfamoyl(4,4,4-trifluorobutyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 163275119
7-Chloro-2-(4-fluorophenyl)-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 163275235
7-Chloro-5-methyl-4-[6-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 163275295
7-Chloro-5-methyl-4-[6-[sulfamoyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 163275378
7-Chloro-4-[6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine
CID 163275507
7-Chloro-4-[6-[2,2-difluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazine
CID 163275514

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-4-[6-(sulfamoylamino)-2-azaspiro[3.4]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 7-chloro-5-methyl-4-[6-(sulfamoylamino)-2-azaspiro[3.4]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazine (CID 164758218) is 7-chloro-5-methyl-4-[6-(sulfamoylamino)-2-azaspiro[3.4]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 7-chloro-5-methyl-4-[6-(sulfamoylamino)-2-azaspiro[3.4]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 7-chloro-5-methyl-4-[6-(sulfamoylamino)-2-azaspiro[3.4]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazine is Cc1cc(Cl)n2ncnc(N3CC4(CCC(NS(N)(=O)=O)C4)C3)c12.
What is the InChIKey of 7-chloro-5-methyl-4-[6-(sulfamoylamino)-2-azaspiro[3.4]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is LGWUXNHMQMXDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O2S/c1-9-4-11(15)21-12(9)13(17-8-18-21)20-6-14(7-20)3-2-10(5-14)19-24(16,22)23/h4,8,10,19H,2-3,5-7H2,1H3,(H2,16,22,23).
What are the key properties of 7-chloro-5-methyl-4-[6-(sulfamoylamino)-2-azaspiro[3.4]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
7-chloro-5-methyl-4-[6-(sulfamoylamino)-2-azaspiro[3.4]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 370.87 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-4-[6-(sulfamoylamino)-2-azaspiro[3.4]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 164758218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).