4-tert-butyl-5-phenyl-2H-triazole

C12H15N3 — CID 137365486

IUPAC4-tert-butyl-5-phenyl-2H-triazole
SMILESCC(C)(C)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C12H15N3/c1-12(2,3)11-10(13-15-14-11)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,14,15)
InChIKeySRINIXYIJPTSGQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.77
Rot. Bonds1

About 4-tert-butyl-5-phenyl-2H-triazole

4-tert-butyl-5-phenyl-2H-triazole (PubChem CID 137365486) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-tert-butyl-5-phenyl-2H-triazole.

Molecular Properties

Compound Name4-tert-butyl-5-phenyl-2H-triazole
PubChem CID137365486
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4-tert-butyl-5-phenyl-2H-triazole
SMILESCC(C)(C)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C12H15N3/c1-12(2,3)11-10(13-15-14-11)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,14,15)
InChIKeySRINIXYIJPTSGQ-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-phenyl-2H-triazole?
The IUPAC name of 4-tert-butyl-5-phenyl-2H-triazole (CID 137365486) is 4-tert-butyl-5-phenyl-2H-triazole.
What is the SMILES notation for 4-tert-butyl-5-phenyl-2H-triazole?
The canonical SMILES for 4-tert-butyl-5-phenyl-2H-triazole is CC(C)(C)c1n[nH]nc1-c1ccccc1.
What is the InChIKey of 4-tert-butyl-5-phenyl-2H-triazole?
The InChIKey is SRINIXYIJPTSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-12(2,3)11-10(13-15-14-11)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,14,15).
What are the key properties of 4-tert-butyl-5-phenyl-2H-triazole?
4-tert-butyl-5-phenyl-2H-triazole has a molecular weight of 201.27 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-phenyl-2H-triazole is sourced from PubChem (CID 137365486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).