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

C18H20N4 — CID 829550

IUPAC5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole
SMILESCc1cccc(-n2nnnc2-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H20N4/c1-13-6-5-7-16(12-13)22-17(19-20-21-22)14-8-10-15(11-9-14)18(2,3)4/h5-12H,1-4H3
InChIKeyVUKSYUGWERGGPH-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.94
Rot. Bonds2

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

5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole (PubChem CID 829550) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole
PubChem CID829550
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole
SMILESCc1cccc(-n2nnnc2-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H20N4/c1-13-6-5-7-16(12-13)22-17(19-20-21-22)14-8-10-15(11-9-14)18(2,3)4/h5-12H,1-4H3
InChIKeyVUKSYUGWERGGPH-UHFFFAOYSA-N
XLogP3.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole?
The IUPAC name of 5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole (CID 829550) is 5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole?
The canonical SMILES for 5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole is Cc1cccc(-n2nnnc2-c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole?
The InChIKey is VUKSYUGWERGGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-13-6-5-7-16(12-13)22-17(19-20-21-22)14-8-10-15(11-9-14)18(2,3)4/h5-12H,1-4H3.
What are the key properties of 5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole?
5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole has a molecular weight of 292.39 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole is sourced from PubChem (CID 829550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).