4-tert-butyl-1-(4-tert-butylphenyl)triazole

C16H23N3 — CID 162480796

IUPAC4-tert-butyl-1-(4-tert-butylphenyl)triazole
SMILESCC(C)(C)c1ccc(-n2cc(C(C)(C)C)nn2)cc1
InChIInChI=1S/C16H23N3/c1-15(2,3)12-7-9-13(10-8-12)19-11-14(17-18-19)16(4,5)6/h7-11H,1-6H3
InChIKeyMFNUONWLGCORFQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.86
Rot. Bonds1

About 4-tert-butyl-1-(4-tert-butylphenyl)triazole

4-tert-butyl-1-(4-tert-butylphenyl)triazole (PubChem CID 162480796) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-tert-butyl-1-(4-tert-butylphenyl)triazole.

Molecular Properties

Compound Name4-tert-butyl-1-(4-tert-butylphenyl)triazole
PubChem CID162480796
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-tert-butyl-1-(4-tert-butylphenyl)triazole
SMILESCC(C)(C)c1ccc(-n2cc(C(C)(C)C)nn2)cc1
InChIInChI=1S/C16H23N3/c1-15(2,3)12-7-9-13(10-8-12)19-11-14(17-18-19)16(4,5)6/h7-11H,1-6H3
InChIKeyMFNUONWLGCORFQ-UHFFFAOYSA-N
XLogP3.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(4-tert-butylphenyl)triazole?
The IUPAC name of 4-tert-butyl-1-(4-tert-butylphenyl)triazole (CID 162480796) is 4-tert-butyl-1-(4-tert-butylphenyl)triazole.
What is the SMILES notation for 4-tert-butyl-1-(4-tert-butylphenyl)triazole?
The canonical SMILES for 4-tert-butyl-1-(4-tert-butylphenyl)triazole is CC(C)(C)c1ccc(-n2cc(C(C)(C)C)nn2)cc1.
What is the InChIKey of 4-tert-butyl-1-(4-tert-butylphenyl)triazole?
The InChIKey is MFNUONWLGCORFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-15(2,3)12-7-9-13(10-8-12)19-11-14(17-18-19)16(4,5)6/h7-11H,1-6H3.
What are the key properties of 4-tert-butyl-1-(4-tert-butylphenyl)triazole?
4-tert-butyl-1-(4-tert-butylphenyl)triazole has a molecular weight of 257.38 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(4-tert-butylphenyl)triazole is sourced from PubChem (CID 162480796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).