5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one

C24H24N6O2 — CID 20953467

IUPAC5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H24N6O2/c31-23(28-13-11-27(12-14-28)16-19-7-3-1-4-8-19)17-29-24(32)22-15-21(26-30(22)18-25-29)20-9-5-2-6-10-20/h1-10,15,18H,11-14,16-17H2
InChIKeyLSNPVYZPTIFXNI-UHFFFAOYSA-N
MW428.50 g/mol
LogP1.90
Rot. Bonds5

About 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one

5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 20953467) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID20953467
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H24N6O2/c31-23(28-13-11-27(12-14-28)16-19-7-3-1-4-8-19)17-29-24(32)22-15-21(26-30(22)18-25-29)20-9-5-2-6-10-20/h1-10,15,18H,11-14,16-17H2
InChIKeyLSNPVYZPTIFXNI-UHFFFAOYSA-N
XLogP1.90
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
CID 20953456
5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
CID 20953453
2-(4-ethylphenyl)-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 20953542
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
2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 22513119
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-fluorophenyl)-5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 46857566
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-[2-(3-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid
CID 56771119
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 29279136
2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53331023
2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 71794666

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one (CID 20953467) is 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one is O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is LSNPVYZPTIFXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c31-23(28-13-11-27(12-14-28)16-19-7-3-1-4-8-19)17-29-24(32)22-15-21(26-30(22)18-25-29)20-9-5-2-6-10-20/h1-10,15,18H,11-14,16-17H2.
What are the key properties of 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one?
5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 428.50 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 20953467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).