5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,5-e][1,2,4]triazine

C21H29N7O3S — CID 72543811

IUPAC5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,5-e][1,2,4]triazine
SMILESCCCc1nn(C)c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12
InChIInChI=1S/C21H29N7O3S/c1-5-7-17-19-21(27(4)25-17)24-23-20(22-19)16-14-15(8-9-18(16)31-6-2)32(29,30)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3
InChIKeyZVARRCFGILXTMT-UHFFFAOYSA-N
MW459.58 g/mol
LogP1.71
Rot. Bonds7

About 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,5-e][1,2,4]triazine

5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,5-e][1,2,4]triazine (PubChem CID 72543811) has the molecular formula C21H29N7O3S and a molecular weight of 459.58 g/mol. Its IUPAC name is 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,5-e][1,2,4]triazine.

Molecular Properties

Compound Name5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,5-e][1,2,4]triazine
PubChem CID72543811
Molecular FormulaC21H29N7O3S
Molecular Weight459.58 g/mol
Exact Mass459.21
IUPAC Name5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,5-e][1,2,4]triazine
SMILESCCCc1nn(C)c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12
InChIInChI=1S/C21H29N7O3S/c1-5-7-17-19-21(27(4)25-17)24-23-20(22-19)16-14-15(8-9-18(16)31-6-2)32(29,30)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3
InChIKeyZVARRCFGILXTMT-UHFFFAOYSA-N
XLogP1.71
TPSA106.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-[4-Methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol
CID 2043852
3-(4-Fluorophenyl)-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 5309784
Thiosildenafil
CID 10228242
6-Ethyl-7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3227250
5-[2-Ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine
CID 90675933
5-(2-Ethoxy-5-piperazin-1-ylsulfonylphenyl)-1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine
CID 90675934
4-[3-(1,3-Dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine
CID 90675935
5-(2-Ethoxy-5-piperidin-1-ylsulfonylphenyl)-1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine
CID 90675936
5-(2-Ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine
CID 90675937
5-[5-(1,4-Diazepan-1-ylsulfonyl)-2-ethoxyphenyl]-1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine
CID 90675938
N-(2-aminoethyl)-3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide
CID 90675939
3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 90675940

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,5-e][1,2,4]triazine?
The IUPAC name of 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,5-e][1,2,4]triazine (CID 72543811) is 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,5-e][1,2,4]triazine.
What is the SMILES notation for 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,5-e][1,2,4]triazine?
The canonical SMILES for 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,5-e][1,2,4]triazine is CCCc1nn(C)c2nnc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.
What is the InChIKey of 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,5-e][1,2,4]triazine?
The InChIKey is ZVARRCFGILXTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O3S/c1-5-7-17-19-21(27(4)25-17)24-23-20(22-19)16-14-15(8-9-18(16)31-6-2)32(29,30)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3.
What are the key properties of 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,5-e][1,2,4]triazine?
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,5-e][1,2,4]triazine has a molecular weight of 459.58 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,5-e][1,2,4]triazine is sourced from PubChem (CID 72543811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).