2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole

C16H15ClN4 — CID 51683474

IUPAC2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole
SMILESCc1ccc(-c2nnn([C@@H](C)c3ccccc3Cl)n2)cc1
InChIInChI=1S/C16H15ClN4/c1-11-7-9-13(10-8-11)16-18-20-21(19-16)12(2)14-5-3-4-6-15(14)17/h3-10,12H,1-2H3/t12-/m0/s1
InChIKeyZNTZGPPOBSSMNT-LBPRGKRZSA-N
MW298.78 g/mol
LogP3.91
Rot. Bonds3

About 2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole

2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole (PubChem CID 51683474) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole
PubChem CID51683474
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole
SMILESCc1ccc(-c2nnn([C@@H](C)c3ccccc3Cl)n2)cc1
InChIInChI=1S/C16H15ClN4/c1-11-7-9-13(10-8-11)16-18-20-21(19-16)12(2)14-5-3-4-6-15(14)17/h3-10,12H,1-2H3/t12-/m0/s1
InChIKeyZNTZGPPOBSSMNT-LBPRGKRZSA-N
XLogP3.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole?
The IUPAC name of 2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole (CID 51683474) is 2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole.
What is the SMILES notation for 2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole?
The canonical SMILES for 2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole is Cc1ccc(-c2nnn([C@@H](C)c3ccccc3Cl)n2)cc1.
What is the InChIKey of 2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole?
The InChIKey is ZNTZGPPOBSSMNT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-11-7-9-13(10-8-11)16-18-20-21(19-16)12(2)14-5-3-4-6-15(14)17/h3-10,12H,1-2H3/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole?
2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole has a molecular weight of 298.78 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole is sourced from PubChem (CID 51683474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).