N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

C13H20N6O4S — CID 122252847

IUPACN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCc2nc(OC)nc(OC)n2)c1C
InChIInChI=1S/C13H20N6O4S/c1-6-19-9(3)11(8(2)18-19)24(20,21)14-7-10-15-12(22-4)17-13(16-10)23-5/h14H,6-7H2,1-5H3
InChIKeyGZXDHVNMJJGINW-UHFFFAOYSA-N
MW356.41 g/mol
LogP0.20
Rot. Bonds7

About N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 122252847) has the molecular formula C13H20N6O4S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID122252847
Molecular FormulaC13H20N6O4S
Molecular Weight356.41 g/mol
Exact Mass356.13
IUPAC NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCc2nc(OC)nc(OC)n2)c1C
InChIInChI=1S/C13H20N6O4S/c1-6-19-9(3)11(8(2)18-19)24(20,21)14-7-10-15-12(22-4)17-13(16-10)23-5/h14H,6-7H2,1-5H3
InChIKeyGZXDHVNMJJGINW-UHFFFAOYSA-N
XLogP0.20
TPSA121.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide with MolForge

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Related Compounds

N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 122254936
1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 71688206
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 22771326
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide
CID 122252753
1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 120896611
ethyl (2R)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-2-methylpropanoate
CID 96997249
1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 19614444
1-(2-aminoethyl)-3,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106410831
1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106410381
1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide
CID 122353575
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22771313
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 122295568

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (CID 122252847) is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)NCc2nc(OC)nc(OC)n2)c1C.
What is the InChIKey of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is GZXDHVNMJJGINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O4S/c1-6-19-9(3)11(8(2)18-19)24(20,21)14-7-10-15-12(22-4)17-13(16-10)23-5/h14H,6-7H2,1-5H3.
What are the key properties of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 356.41 g/mol, XLogP of 0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 122252847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).