1-(3,4-dichlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine

C17H16Cl2N6 — CID 2132380

IUPAC1-(3,4-dichlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESClc1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C17H16Cl2N6/c18-15-7-6-14(12-16(15)19)23-8-10-24(11-9-23)17-20-21-22-25(17)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyHKVDLLVZUTWURP-UHFFFAOYSA-N
MW375.26 g/mol
LogP3.30
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine

1-(3,4-dichlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 2132380) has the molecular formula C17H16Cl2N6 and a molecular weight of 375.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID2132380
Molecular FormulaC17H16Cl2N6
Molecular Weight375.26 g/mol
Exact Mass374.08
IUPAC Name1-(3,4-dichlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESClc1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C17H16Cl2N6/c18-15-7-6-14(12-16(15)19)23-8-10-24(11-9-23)17-20-21-22-25(17)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyHKVDLLVZUTWURP-UHFFFAOYSA-N
XLogP3.30
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine (CID 2132380) is 1-(3,4-dichlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine is Clc1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is HKVDLLVZUTWURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N6/c18-15-7-6-14(12-16(15)19)23-8-10-24(11-9-23)17-20-21-22-25(17)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of 1-(3,4-dichlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
1-(3,4-dichlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 375.26 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 2132380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).