2-[(2-chlorophenyl)methyl]-5-phenyltetrazole

C14H11ClN4 — CID 856079

IUPAC2-[(2-chlorophenyl)methyl]-5-phenyltetrazole
SMILESClc1ccccc1Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H11ClN4/c15-13-9-5-4-8-12(13)10-19-17-14(16-18-19)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyKFNSNOICAWYJOS-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.04
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-5-phenyltetrazole

2-[(2-chlorophenyl)methyl]-5-phenyltetrazole (PubChem CID 856079) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-phenyltetrazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-phenyltetrazole
PubChem CID856079
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name2-[(2-chlorophenyl)methyl]-5-phenyltetrazole
SMILESClc1ccccc1Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H11ClN4/c15-13-9-5-4-8-12(13)10-19-17-14(16-18-19)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyKFNSNOICAWYJOS-UHFFFAOYSA-N
XLogP3.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5-phenyltetrazole?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-phenyltetrazole (CID 856079) is 2-[(2-chlorophenyl)methyl]-5-phenyltetrazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-phenyltetrazole?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-phenyltetrazole is Clc1ccccc1Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-phenyltetrazole?
The InChIKey is KFNSNOICAWYJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-13-9-5-4-8-12(13)10-19-17-14(16-18-19)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-phenyltetrazole?
2-[(2-chlorophenyl)methyl]-5-phenyltetrazole has a molecular weight of 270.72 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5-phenyltetrazole is sourced from PubChem (CID 856079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).