2-(4-tert-butylphenyl)triazol-4-amine

C12H16N4 — CID 116799226

IUPAC2-(4-tert-butylphenyl)triazol-4-amine
SMILESCC(C)(C)c1ccc(-n2ncc(N)n2)cc1
InChIInChI=1S/C12H16N4/c1-12(2,3)9-4-6-10(7-5-9)16-14-8-11(13)15-16/h4-8H,1-3H3,(H2,13,15)
InChIKeyPLALAJYEPFPYNW-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.15
Rot. Bonds1

About 2-(4-tert-butylphenyl)triazol-4-amine

2-(4-tert-butylphenyl)triazol-4-amine (PubChem CID 116799226) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)triazol-4-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)triazol-4-amine
PubChem CID116799226
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-(4-tert-butylphenyl)triazol-4-amine
SMILESCC(C)(C)c1ccc(-n2ncc(N)n2)cc1
InChIInChI=1S/C12H16N4/c1-12(2,3)9-4-6-10(7-5-9)16-14-8-11(13)15-16/h4-8H,1-3H3,(H2,13,15)
InChIKeyPLALAJYEPFPYNW-UHFFFAOYSA-N
XLogP2.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)triazol-4-amine?
The IUPAC name of 2-(4-tert-butylphenyl)triazol-4-amine (CID 116799226) is 2-(4-tert-butylphenyl)triazol-4-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)triazol-4-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)triazol-4-amine is CC(C)(C)c1ccc(-n2ncc(N)n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)triazol-4-amine?
The InChIKey is PLALAJYEPFPYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-12(2,3)9-4-6-10(7-5-9)16-14-8-11(13)15-16/h4-8H,1-3H3,(H2,13,15).
What are the key properties of 2-(4-tert-butylphenyl)triazol-4-amine?
2-(4-tert-butylphenyl)triazol-4-amine has a molecular weight of 216.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)triazol-4-amine is sourced from PubChem (CID 116799226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).