1-(3-chlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine

C17H17ClN6 — CID 1448780

IUPAC1-(3-chlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESClc1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2)c1
InChIInChI=1S/C17H17ClN6/c18-14-5-4-8-16(13-14)22-9-11-23(12-10-22)17-19-20-21-24(17)15-6-2-1-3-7-15/h1-8,13H,9-12H2
InChIKeyNTWRIHFSPMORIL-UHFFFAOYSA-N
MW340.82 g/mol
LogP2.64
Rot. Bonds3

About 1-(3-chlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine

1-(3-chlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 1448780) has the molecular formula C17H17ClN6 and a molecular weight of 340.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID1448780
Molecular FormulaC17H17ClN6
Molecular Weight340.82 g/mol
Exact Mass340.12
IUPAC Name1-(3-chlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESClc1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2)c1
InChIInChI=1S/C17H17ClN6/c18-14-5-4-8-16(13-14)22-9-11-23(12-10-22)17-19-20-21-24(17)15-6-2-1-3-7-15/h1-8,13H,9-12H2
InChIKeyNTWRIHFSPMORIL-UHFFFAOYSA-N
XLogP2.64
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 52.64
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-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine (CID 1448780) is 1-(3-chlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine is Clc1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is NTWRIHFSPMORIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6/c18-14-5-4-8-16(13-14)22-9-11-23(12-10-22)17-19-20-21-24(17)15-6-2-1-3-7-15/h1-8,13H,9-12H2.
What are the key properties of 1-(3-chlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
1-(3-chlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 340.82 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 1448780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).