1-(3-chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine

C19H18Cl2N6 — CID 2815398

IUPAC1-(3-chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine
SMILESClc1ccc(-n2nnnc2C=CN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H18Cl2N6/c20-15-4-6-17(7-5-15)27-19(22-23-24-27)8-9-25-10-12-26(13-11-25)18-3-1-2-16(21)14-18/h1-9,14H,10-13H2
InChIKeyYVRNLONSODWRKT-UHFFFAOYSA-N
MW401.30 g/mol
LogP3.76
Rot. Bonds4

About 1-(3-chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine

1-(3-chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine (PubChem CID 2815398) has the molecular formula C19H18Cl2N6 and a molecular weight of 401.30 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine
PubChem CID2815398
Molecular FormulaC19H18Cl2N6
Molecular Weight401.30 g/mol
Exact Mass400.10
IUPAC Name1-(3-chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine
SMILESClc1ccc(-n2nnnc2C=CN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H18Cl2N6/c20-15-4-6-17(7-5-15)27-19(22-23-24-27)8-9-25-10-12-26(13-11-25)18-3-1-2-16(21)14-18/h1-9,14H,10-13H2
InChIKeyYVRNLONSODWRKT-UHFFFAOYSA-N
XLogP3.76
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine (CID 2815398) is 1-(3-chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine is Clc1ccc(-n2nnnc2C=CN2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine?
The InChIKey is YVRNLONSODWRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6/c20-15-4-6-17(7-5-15)27-19(22-23-24-27)8-9-25-10-12-26(13-11-25)18-3-1-2-16(21)14-18/h1-9,14H,10-13H2.
What are the key properties of 1-(3-chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine?
1-(3-chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine has a molecular weight of 401.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperazine is sourced from PubChem (CID 2815398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).