5-(3-methylphenyl)-1-(4-methylphenyl)tetrazole

C15H14N4 — CID 855892

IUPAC5-(3-methylphenyl)-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2cccc(C)c2)cc1
InChIInChI=1S/C15H14N4/c1-11-6-8-14(9-7-11)19-15(16-17-18-19)13-5-3-4-12(2)10-13/h3-10H,1-2H3
InChIKeyDJCTYDSZKCUYCL-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.95
Rot. Bonds2

About 5-(3-methylphenyl)-1-(4-methylphenyl)tetrazole

5-(3-methylphenyl)-1-(4-methylphenyl)tetrazole (PubChem CID 855892) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 5-(3-methylphenyl)-1-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-(3-methylphenyl)-1-(4-methylphenyl)tetrazole
PubChem CID855892
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name5-(3-methylphenyl)-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2cccc(C)c2)cc1
InChIInChI=1S/C15H14N4/c1-11-6-8-14(9-7-11)19-15(16-17-18-19)13-5-3-4-12(2)10-13/h3-10H,1-2H3
InChIKeyDJCTYDSZKCUYCL-UHFFFAOYSA-N
XLogP2.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-1-(4-methylphenyl)tetrazole?
The IUPAC name of 5-(3-methylphenyl)-1-(4-methylphenyl)tetrazole (CID 855892) is 5-(3-methylphenyl)-1-(4-methylphenyl)tetrazole.
What is the SMILES notation for 5-(3-methylphenyl)-1-(4-methylphenyl)tetrazole?
The canonical SMILES for 5-(3-methylphenyl)-1-(4-methylphenyl)tetrazole is Cc1ccc(-n2nnnc2-c2cccc(C)c2)cc1.
What is the InChIKey of 5-(3-methylphenyl)-1-(4-methylphenyl)tetrazole?
The InChIKey is DJCTYDSZKCUYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-6-8-14(9-7-11)19-15(16-17-18-19)13-5-3-4-12(2)10-13/h3-10H,1-2H3.
What are the key properties of 5-(3-methylphenyl)-1-(4-methylphenyl)tetrazole?
5-(3-methylphenyl)-1-(4-methylphenyl)tetrazole has a molecular weight of 250.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-1-(4-methylphenyl)tetrazole is sourced from PubChem (CID 855892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).