2-(4-methylphenyl)-5-phenyltetrazole

C14H12N4 — CID 570569

IUPAC2-(4-methylphenyl)-5-phenyltetrazole
SMILESCc1ccc(-n2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H12N4/c1-11-7-9-13(10-8-11)18-16-14(15-17-18)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeySSPKUUCJRGJIKV-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.64
Rot. Bonds2

About 2-(4-methylphenyl)-5-phenyltetrazole

2-(4-methylphenyl)-5-phenyltetrazole (PubChem CID 570569) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-phenyltetrazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-phenyltetrazole
PubChem CID570569
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2-(4-methylphenyl)-5-phenyltetrazole
SMILESCc1ccc(-n2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H12N4/c1-11-7-9-13(10-8-11)18-16-14(15-17-18)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeySSPKUUCJRGJIKV-UHFFFAOYSA-N
XLogP2.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Triphenyltetrazolium chloride
CID 9283
2,3,5-Triphenyltetrazolium
CID 9284
2,3,5-Triphenyltetrazolium bromide
CID 101965
2-(4-fluorophenyl)-5-phenyl-2H-tetrazole
CID 2990094
2,3-Diphenyl-5-(4-phenylphenyl)tetrazol-2-ium chloride
CID 9953409
4-[2-(2-Fluoro-benzyl)-2H-tetrazol-5-yl]-phenylamine
CID 1463674
5-(2-bromophenyl)-2-(4-fluorophenyl)-2H-tetrazole
CID 2987080
4-(2-ethyl-2H-tetrazol-5-yl)aniline
CID 1132845
2,5-Diphenyl-2H-tetrazole
CID 140328
5-Cyano-2,3-di-p-tolyltetrazolium chloride
CID 2762687
4-(1H-1,2,3,4-tetrazol-5-yl)aniline
CID 1079216
2-(4-Fluorophenyl)-3,5-diphenyltetrazol-2-ium chloride
CID 13951846

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-phenyltetrazole?
The IUPAC name of 2-(4-methylphenyl)-5-phenyltetrazole (CID 570569) is 2-(4-methylphenyl)-5-phenyltetrazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-phenyltetrazole?
The canonical SMILES for 2-(4-methylphenyl)-5-phenyltetrazole is Cc1ccc(-n2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-phenyltetrazole?
The InChIKey is SSPKUUCJRGJIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-11-7-9-13(10-8-11)18-16-14(15-17-18)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 2-(4-methylphenyl)-5-phenyltetrazole?
2-(4-methylphenyl)-5-phenyltetrazole has a molecular weight of 236.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-phenyltetrazole is sourced from PubChem (CID 570569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).