1-(4-methylphenyl)-5-phenyltetrazole

C14H12N4 — CID 3638362

IUPAC1-(4-methylphenyl)-5-phenyltetrazole
SMILESCc1ccc(-n2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C14H12N4/c1-11-7-9-13(10-8-11)18-14(15-16-17-18)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyXYRLQFRSIYROMT-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.64
Rot. Bonds2

About 1-(4-methylphenyl)-5-phenyltetrazole

1-(4-methylphenyl)-5-phenyltetrazole (PubChem CID 3638362) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-phenyltetrazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-phenyltetrazole
PubChem CID3638362
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name1-(4-methylphenyl)-5-phenyltetrazole
SMILESCc1ccc(-n2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C14H12N4/c1-11-7-9-13(10-8-11)18-14(15-16-17-18)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyXYRLQFRSIYROMT-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-phenyltetrazole?
The IUPAC name of 1-(4-methylphenyl)-5-phenyltetrazole (CID 3638362) is 1-(4-methylphenyl)-5-phenyltetrazole.
What is the SMILES notation for 1-(4-methylphenyl)-5-phenyltetrazole?
The canonical SMILES for 1-(4-methylphenyl)-5-phenyltetrazole is Cc1ccc(-n2nnnc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-phenyltetrazole?
The InChIKey is XYRLQFRSIYROMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-11-7-9-13(10-8-11)18-14(15-16-17-18)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 1-(4-methylphenyl)-5-phenyltetrazole?
1-(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 1-(4-methylphenyl)-5-phenyltetrazole is sourced from PubChem (CID 3638362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).