2-(4-ethylphenyl)-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

C21H26N6O2 — CID 20953542

IUPAC2-(4-ethylphenyl)-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCCc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(CC)CC4)ncn3n2)cc1
InChIInChI=1S/C21H26N6O2/c1-3-16-5-7-17(8-6-16)18-13-19-21(29)26(22-15-27(19)23-18)14-20(28)25-11-9-24(4-2)10-12-25/h5-8,13,15H,3-4,9-12,14H2,1-2H3
InChIKeyCKMPGHUHUCLGBE-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.28
Rot. Bonds5

About 2-(4-ethylphenyl)-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

2-(4-ethylphenyl)-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 20953542) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID20953542
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name2-(4-ethylphenyl)-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCCc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(CC)CC4)ncn3n2)cc1
InChIInChI=1S/C21H26N6O2/c1-3-16-5-7-17(8-6-16)18-13-19-21(29)26(22-15-27(19)23-18)14-20(28)25-11-9-24(4-2)10-12-25/h5-8,13,15H,3-4,9-12,14H2,1-2H3
InChIKeyCKMPGHUHUCLGBE-UHFFFAOYSA-N
XLogP1.28
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethylphenyl)-5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 50926120
2-(4-ethylphenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 50926116
5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
CID 20953467
5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
CID 20953456
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-ethylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 50926124
2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 22513119
5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
CID 20953453
N-[2-(dimethylamino)ethyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953520
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-methoxyethyl)acetamide
CID 50926067
N-(3,5-dichlorophenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926136
N-[2-(diethylamino)ethyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953530
2-(4-fluorophenyl)-5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 46857566

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2-(4-ethylphenyl)-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 20953542) is 2-(4-ethylphenyl)-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2-(4-ethylphenyl)-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2-(4-ethylphenyl)-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is CCc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(CC)CC4)ncn3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is CKMPGHUHUCLGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-3-16-5-7-17(8-6-16)18-13-19-21(29)26(22-15-27(19)23-18)14-20(28)25-11-9-24(4-2)10-12-25/h5-8,13,15H,3-4,9-12,14H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
2-(4-ethylphenyl)-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 394.48 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 20953542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).