6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

C24H25FN6 — CID 22577462

IUPAC6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2nc(-c3ccccc3)nn2c1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H25FN6/c1-3-19-17(2)26-24-27-22(18-9-5-4-6-10-18)28-31(24)23(19)30-15-13-29(14-16-30)21-12-8-7-11-20(21)25/h4-12H,3,13-16H2,1-2H3
InChIKeyWYJYNTSGPHVFQZ-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.13
Rot. Bonds4

About 6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 22577462) has the molecular formula C24H25FN6 and a molecular weight of 416.50 g/mol. Its IUPAC name is 6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID22577462
Molecular FormulaC24H25FN6
Molecular Weight416.50 g/mol
Exact Mass416.21
IUPAC Name6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2nc(-c3ccccc3)nn2c1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H25FN6/c1-3-19-17(2)26-24-27-22(18-9-5-4-6-10-18)28-31(24)23(19)30-15-13-29(14-16-30)21-12-8-7-11-20(21)25/h4-12H,3,13-16H2,1-2H3
InChIKeyWYJYNTSGPHVFQZ-UHFFFAOYSA-N
XLogP4.13
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-5-methyl-N,2-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433824
6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 2035725
5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2337721
N-(4-chlorophenyl)-6-ethyl-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433823
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-11-phenyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 50800561
N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine
CID 112898489
2-(5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 50750252
N-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine
CID 112957592
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline
CID 4110916
4-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081618
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)ethanone
CID 110648997

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 22577462) is 6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1c(C)nc2nc(-c3ccccc3)nn2c1N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WYJYNTSGPHVFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6/c1-3-19-17(2)26-24-27-22(18-9-5-4-6-10-18)28-31(24)23(19)30-15-13-29(14-16-30)21-12-8-7-11-20(21)25/h4-12H,3,13-16H2,1-2H3.
What are the key properties of 6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 416.50 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 22577462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).