1-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperazine

C20H22FN5 — CID 71762539

IUPAC1-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperazine
SMILESCCc1nnc(N2CCN(c3ccccc3)CC2)n1-c1ccccc1F
InChIInChI=1S/C20H22FN5/c1-2-19-22-23-20(26(19)18-11-7-6-10-17(18)21)25-14-12-24(13-15-25)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyIHBYPCHVQVSJOW-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.30
Rot. Bonds4

About 1-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperazine

1-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperazine (PubChem CID 71762539) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperazine
PubChem CID71762539
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC Name1-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperazine
SMILESCCc1nnc(N2CCN(c3ccccc3)CC2)n1-c1ccccc1F
InChIInChI=1S/C20H22FN5/c1-2-19-22-23-20(26(19)18-11-7-6-10-17(18)21)25-14-12-24(13-15-25)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyIHBYPCHVQVSJOW-UHFFFAOYSA-N
XLogP3.30
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperazine?
The IUPAC name of 1-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperazine (CID 71762539) is 1-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperazine.
What is the SMILES notation for 1-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperazine?
The canonical SMILES for 1-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperazine is CCc1nnc(N2CCN(c3ccccc3)CC2)n1-c1ccccc1F.
What is the InChIKey of 1-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperazine?
The InChIKey is IHBYPCHVQVSJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5/c1-2-19-22-23-20(26(19)18-11-7-6-10-17(18)21)25-14-12-24(13-15-25)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3.
What are the key properties of 1-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperazine?
1-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperazine has a molecular weight of 351.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperazine is sourced from PubChem (CID 71762539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).