ethyl 5-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate

C17H20N8O6S — CID 19839380

IUPACethyl 5-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccn2)c1S(=O)(=O)NC(=O)NN1N=C(OC)C=C(C)N1
InChIInChI=1S/C17H20N8O6S/c1-4-31-16(26)12-10-19-24(13-7-5-6-8-18-13)15(12)32(28,29)23-17(27)22-25-20-11(2)9-14(21-25)30-3/h5-10,20H,4H2,1-3H3,(H2,22,23,27)
InChIKeyUWZFUYPULYUENM-UHFFFAOYSA-N
MW464.46 g/mol
LogP0.03
Rot. Bonds6

About ethyl 5-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate

ethyl 5-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 19839380) has the molecular formula C17H20N8O6S and a molecular weight of 464.46 g/mol. Its IUPAC name is ethyl 5-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID19839380
Molecular FormulaC17H20N8O6S
Molecular Weight464.46 g/mol
Exact Mass464.12
IUPAC Nameethyl 5-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccn2)c1S(=O)(=O)NC(=O)NN1N=C(OC)C=C(C)N1
InChIInChI=1S/C17H20N8O6S/c1-4-31-16(26)12-10-19-24(13-7-5-6-8-18-13)15(12)32(28,29)23-17(27)22-25-20-11(2)9-14(21-25)30-3/h5-10,20H,4H2,1-3H3,(H2,22,23,27)
InChIKeyUWZFUYPULYUENM-UHFFFAOYSA-N
XLogP0.03
TPSA169.14 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.46
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate (CID 19839380) is ethyl 5-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccn2)c1S(=O)(=O)NC(=O)NN1N=C(OC)C=C(C)N1.
What is the InChIKey of ethyl 5-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is UWZFUYPULYUENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O6S/c1-4-31-16(26)12-10-19-24(13-7-5-6-8-18-13)15(12)32(28,29)23-17(27)22-25-20-11(2)9-14(21-25)30-3/h5-10,20H,4H2,1-3H3,(H2,22,23,27).
What are the key properties of ethyl 5-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
ethyl 5-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 464.46 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-methoxy-6-methyl-1H-triazin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 19839380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).