4-[1-(4-phenylphenyl)tetrazol-5-yl]piperazine-2-carboxylic acid

C18H18N6O2 — CID 56869060

IUPAC4-[1-(4-phenylphenyl)tetrazol-5-yl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2nnnn2-c2ccc(-c3ccccc3)cc2)CCN1
InChIInChI=1S/C18H18N6O2/c25-17(26)16-12-23(11-10-19-16)18-20-21-22-24(18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16,19H,10-12H2,(H,25,26)
InChIKeyAFDOLYRPVKMRPG-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.19
Rot. Bonds4

About 4-[1-(4-phenylphenyl)tetrazol-5-yl]piperazine-2-carboxylic acid

4-[1-(4-phenylphenyl)tetrazol-5-yl]piperazine-2-carboxylic acid (PubChem CID 56869060) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[1-(4-phenylphenyl)tetrazol-5-yl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-phenylphenyl)tetrazol-5-yl]piperazine-2-carboxylic acid
PubChem CID56869060
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name4-[1-(4-phenylphenyl)tetrazol-5-yl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2nnnn2-c2ccc(-c3ccccc3)cc2)CCN1
InChIInChI=1S/C18H18N6O2/c25-17(26)16-12-23(11-10-19-16)18-20-21-22-24(18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16,19H,10-12H2,(H,25,26)
InChIKeyAFDOLYRPVKMRPG-UHFFFAOYSA-N
XLogP1.19
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-phenylphenyl)tetrazol-5-yl]piperazine-2-carboxylic acid?
The IUPAC name of 4-[1-(4-phenylphenyl)tetrazol-5-yl]piperazine-2-carboxylic acid (CID 56869060) is 4-[1-(4-phenylphenyl)tetrazol-5-yl]piperazine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(4-phenylphenyl)tetrazol-5-yl]piperazine-2-carboxylic acid?
The canonical SMILES for 4-[1-(4-phenylphenyl)tetrazol-5-yl]piperazine-2-carboxylic acid is O=C(O)C1CN(c2nnnn2-c2ccc(-c3ccccc3)cc2)CCN1.
What is the InChIKey of 4-[1-(4-phenylphenyl)tetrazol-5-yl]piperazine-2-carboxylic acid?
The InChIKey is AFDOLYRPVKMRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-17(26)16-12-23(11-10-19-16)18-20-21-22-24(18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16,19H,10-12H2,(H,25,26).
What are the key properties of 4-[1-(4-phenylphenyl)tetrazol-5-yl]piperazine-2-carboxylic acid?
4-[1-(4-phenylphenyl)tetrazol-5-yl]piperazine-2-carboxylic acid has a molecular weight of 350.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-phenylphenyl)tetrazol-5-yl]piperazine-2-carboxylic acid is sourced from PubChem (CID 56869060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).