1-(4-methylphenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]tetrazole

C16H14N8 — CID 1369331

IUPAC1-(4-methylphenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]tetrazole
SMILESCc1ccc(-n2nnnc2-c2nnnn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C16H14N8/c1-11-3-7-13(8-4-11)23-15(17-19-21-23)16-18-20-22-24(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyVQCUVSQFWAREDF-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.92
Rot. Bonds3

About 1-(4-methylphenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]tetrazole

1-(4-methylphenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]tetrazole (PubChem CID 1369331) has the molecular formula C16H14N8 and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]tetrazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]tetrazole
PubChem CID1369331
Molecular FormulaC16H14N8
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name1-(4-methylphenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]tetrazole
SMILESCc1ccc(-n2nnnc2-c2nnnn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C16H14N8/c1-11-3-7-13(8-4-11)23-15(17-19-21-23)16-18-20-22-24(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyVQCUVSQFWAREDF-UHFFFAOYSA-N
XLogP1.92
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]tetrazole?
The IUPAC name of 1-(4-methylphenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]tetrazole (CID 1369331) is 1-(4-methylphenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]tetrazole.
What is the SMILES notation for 1-(4-methylphenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]tetrazole?
The canonical SMILES for 1-(4-methylphenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]tetrazole is Cc1ccc(-n2nnnc2-c2nnnn2-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]tetrazole?
The InChIKey is VQCUVSQFWAREDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8/c1-11-3-7-13(8-4-11)23-15(17-19-21-23)16-18-20-22-24(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3.
What are the key properties of 1-(4-methylphenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]tetrazole?
1-(4-methylphenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]tetrazole has a molecular weight of 318.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]tetrazole is sourced from PubChem (CID 1369331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).