4-[(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide

C14H17N7O3S — CID 78319161

IUPAC4-[(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)NCCO)cc3)nc12
InChIInChI=1S/C14H17N7O3S/c1-9-12-13(21(2)20-9)18-19-14(17-12)16-10-3-5-11(6-4-10)25(23,24)15-7-8-22/h3-6,15,22H,7-8H2,1-2H3,(H,16,17,19)
InChIKeyXUFWIFGAZIFAOQ-UHFFFAOYSA-N
MW363.40 g/mol
LogP0.08
Rot. Bonds6

About 4-[(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide

4-[(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 78319161) has the molecular formula C14H17N7O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 4-[(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID78319161
Molecular FormulaC14H17N7O3S
Molecular Weight363.40 g/mol
Exact Mass363.11
IUPAC Name4-[(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)NCCO)cc3)nc12
InChIInChI=1S/C14H17N7O3S/c1-9-12-13(21(2)20-9)18-19-14(17-12)16-10-3-5-11(6-4-10)25(23,24)15-7-8-22/h3-6,15,22H,7-8H2,1-2H3,(H,16,17,19)
InChIKeyXUFWIFGAZIFAOQ-UHFFFAOYSA-N
XLogP0.08
TPSA134.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-[(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide (CID 78319161) is 4-[(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide is Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)NCCO)cc3)nc12.
What is the InChIKey of 4-[(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is XUFWIFGAZIFAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O3S/c1-9-12-13(21(2)20-9)18-19-14(17-12)16-10-3-5-11(6-4-10)25(23,24)15-7-8-22/h3-6,15,22H,7-8H2,1-2H3,(H,16,17,19).
What are the key properties of 4-[(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide?
4-[(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 363.40 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 78319161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).