1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine

C18H17F3N6 — CID 2419803

IUPAC1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2)c1
InChIInChI=1S/C18H17F3N6/c19-18(20,21)14-5-4-8-16(13-14)25-9-11-26(12-10-25)17-22-23-24-27(17)15-6-2-1-3-7-15/h1-8,13H,9-12H2
InChIKeyKOBVRCYACLUPAL-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.01
Rot. Bonds3

About 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine

1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 2419803) has the molecular formula C18H17F3N6 and a molecular weight of 374.37 g/mol. Its IUPAC name is 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID2419803
Molecular FormulaC18H17F3N6
Molecular Weight374.37 g/mol
Exact Mass374.15
IUPAC Name1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2)c1
InChIInChI=1S/C18H17F3N6/c19-18(20,21)14-5-4-8-16(13-14)25-9-11-26(12-10-25)17-22-23-24-27(17)15-6-2-1-3-7-15/h1-8,13H,9-12H2
InChIKeyKOBVRCYACLUPAL-UHFFFAOYSA-N
XLogP3.01
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine (CID 2419803) is 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2)c1.
What is the InChIKey of 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is KOBVRCYACLUPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6/c19-18(20,21)14-5-4-8-16(13-14)25-9-11-26(12-10-25)17-22-23-24-27(17)15-6-2-1-3-7-15/h1-8,13H,9-12H2.
What are the key properties of 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 374.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 2419803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).