5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole

C16H15ClN4 — CID 56974037

IUPAC5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole
SMILESClc1ccccc1-c1nnn(CCCc2ccccc2)n1
InChIInChI=1S/C16H15ClN4/c17-15-11-5-4-10-14(15)16-18-20-21(19-16)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2
InChIKeyRNXTUUKAQGBXNL-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.63
Rot. Bonds5

About 5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole

5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole (PubChem CID 56974037) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole
PubChem CID56974037
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole
SMILESClc1ccccc1-c1nnn(CCCc2ccccc2)n1
InChIInChI=1S/C16H15ClN4/c17-15-11-5-4-10-14(15)16-18-20-21(19-16)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2
InChIKeyRNXTUUKAQGBXNL-UHFFFAOYSA-N
XLogP3.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole?
The IUPAC name of 5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole (CID 56974037) is 5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole?
The canonical SMILES for 5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole is Clc1ccccc1-c1nnn(CCCc2ccccc2)n1.
What is the InChIKey of 5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole?
The InChIKey is RNXTUUKAQGBXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c17-15-11-5-4-10-14(15)16-18-20-21(19-16)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2.
What are the key properties of 5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole?
5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole has a molecular weight of 298.78 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole is sourced from PubChem (CID 56974037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).