2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.

N-arylpiperazines

Organic compounds

Organoheterocyclic compounds

Diazinanes

Piperazines

Calculated Property

kind Value Source
logP 1.81 ALOGPS
logS -3.3 ALOGPS
Water Solubility 1.59e-01 g/l ALOGPS
logP 2.94 ChemAxon
IUPAC Name 2-(4-ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile ChemAxon
Traditional IUPAC Name 2-(4-ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile ChemAxon
Molecular Weight 348.405 ChemAxon
Monoisotopic Weight 348.18109268 ChemAxon
SMILES CCN1CCN(CC1)C1=NC2=C(C=NN2C(NC2=CC=CC=C2)=N1)C#N ChemAxon
Molecular Formula C18H20N8 ChemAxon
InChI InChI=1S/C18H20N8/c1-2-24-8-10-25(11-9-24)17-22-16-14(12-19)13-20-26(16)18(23-17)21-15-6-4-3-5-7-15/h3-7,13H,2,8-11H2,1H3,(H,21,22,23) ChemAxon
InChIKey InChIKey=BIFHJPUTQBOBGJ-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 85.38 ChemAxon
Refractivity 111.8 ChemAxon
Polarizability 38.18 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 7 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 15.46 ChemAxon
pKa (strongest basic) 7.6 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Casein kinase II subunit alpha : in Human