1-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C24H21F3N6 — CID 6269632

IUPAC1-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(/C=C/c3nnnn3-c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C24H21F3N6/c25-24(26,27)20-6-3-7-21(17-20)32-14-12-31(13-15-32)11-10-23-28-29-30-33(23)22-9-8-18-4-1-2-5-19(18)16-22/h1-11,16-17H,12-15H2/b11-10+
InChIKeyPQDAWKBKMOFMLR-ZHACJKMWSA-N
MW450.47 g/mol
LogP4.63
Rot. Bonds4

About 1-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 6269632) has the molecular formula C24H21F3N6 and a molecular weight of 450.47 g/mol. Its IUPAC name is 1-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID6269632
Molecular FormulaC24H21F3N6
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Name1-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(/C=C/c3nnnn3-c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C24H21F3N6/c25-24(26,27)20-6-3-7-21(17-20)32-14-12-31(13-15-32)11-10-23-28-29-30-33(23)22-9-8-18-4-1-2-5-19(18)16-22/h1-11,16-17H,12-15H2/b11-10+
InChIKeyPQDAWKBKMOFMLR-ZHACJKMWSA-N
XLogP4.63
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 6269632) is 1-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(/C=C/c3nnnn3-c3ccc4ccccc4c3)CC2)c1.
What is the InChIKey of 1-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is PQDAWKBKMOFMLR-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H21F3N6/c25-24(26,27)20-6-3-7-21(17-20)32-14-12-31(13-15-32)11-10-23-28-29-30-33(23)22-9-8-18-4-1-2-5-19(18)16-22/h1-11,16-17H,12-15H2/b11-10+.
What are the key properties of 1-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 450.47 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 6269632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).