1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid

C11H12N6O6S — CID 23185534

IUPAC1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid
SMILESCOc1nc(C)nc(NC(=O)NS(=O)(=O)n2ccc(C(=O)O)c2)n1
InChIInChI=1S/C11H12N6O6S/c1-6-12-9(15-11(13-6)23-2)14-10(20)16-24(21,22)17-4-3-7(5-17)8(18)19/h3-5H,1-2H3,(H,18,19)(H2,12,13,14,15,16,20)
InChIKeyKLCXRDPPKZQGJQ-UHFFFAOYSA-N
MW356.32 g/mol
LogP-0.40
Rot. Bonds5

About 1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid

1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid (PubChem CID 23185534) has the molecular formula C11H12N6O6S and a molecular weight of 356.32 g/mol. Its IUPAC name is 1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid
PubChem CID23185534
Molecular FormulaC11H12N6O6S
Molecular Weight356.32 g/mol
Exact Mass356.05
IUPAC Name1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid
SMILESCOc1nc(C)nc(NC(=O)NS(=O)(=O)n2ccc(C(=O)O)c2)n1
InChIInChI=1S/C11H12N6O6S/c1-6-12-9(15-11(13-6)23-2)14-10(20)16-24(21,22)17-4-3-7(5-17)8(18)19/h3-5H,1-2H3,(H,18,19)(H2,12,13,14,15,16,20)
InChIKeyKLCXRDPPKZQGJQ-UHFFFAOYSA-N
XLogP-0.40
TPSA165.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid with MolForge

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Related Compounds

1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea
CID 13188538
lithium;hydride;methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 173024581
4-ethyl-2-iodo-3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid
CID 162034413
4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid
CID 18402899
N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)acetamide
CID 14076289
methyl 4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-3-methylbenzoate
CID 142673735
1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[(2-nitrophenyl)methylsulfonyl]urea
CID 13282691
CID 88679981
CID 88679981
1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 139201725
CID 88509322
CID 88509322
1-(benzenesulfonyl)-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea
CID 14835177
1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(methylamino)-4-oxopent-2-en-3-yl]sulfonylurea
CID 70490365

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid?
The IUPAC name of 1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid (CID 23185534) is 1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid?
The canonical SMILES for 1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid is COc1nc(C)nc(NC(=O)NS(=O)(=O)n2ccc(C(=O)O)c2)n1.
What is the InChIKey of 1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid?
The InChIKey is KLCXRDPPKZQGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O6S/c1-6-12-9(15-11(13-6)23-2)14-10(20)16-24(21,22)17-4-3-7(5-17)8(18)19/h3-5H,1-2H3,(H,18,19)(H2,12,13,14,15,16,20).
What are the key properties of 1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid?
1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid has a molecular weight of 356.32 g/mol, XLogP of -0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid is sourced from PubChem (CID 23185534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).