[5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine

C17H26N4 — CID 82198141

IUPAC[5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine
SMILESCCCCc1c(CN)nnn1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N4/c1-5-6-7-16-15(12-18)19-20-21(16)14-10-8-13(9-11-14)17(2,3)4/h8-11H,5-7,12,18H2,1-4H3
InChIKeyAHSSQHAWGFQUHA-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.37
Rot. Bonds5

About [5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine

[5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine (PubChem CID 82198141) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is [5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine
PubChem CID82198141
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name[5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine
SMILESCCCCc1c(CN)nnn1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N4/c1-5-6-7-16-15(12-18)19-20-21(16)14-10-8-13(9-11-14)17(2,3)4/h8-11H,5-7,12,18H2,1-4H3
InChIKeyAHSSQHAWGFQUHA-UHFFFAOYSA-N
XLogP3.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-butyl-1-phenyltriazol-4-yl)methanamine
CID 82200262
[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine
CID 82196254
[5-butyl-1-(4-piperidin-1-ylphenyl)triazol-4-yl]methanamine
CID 94939043
[5-butyl-1-(3-chloro-4-methylphenyl)triazol-4-yl]methanamine
CID 82198903
5-butyl-1-(4-tert-butylphenyl)triazole-4-carboxylic acid
CID 82201039
[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82200808
[1-(3-bromophenyl)-5-butyltriazol-4-yl]methanamine
CID 94937588
5-[4-(aminomethyl)-5-butyltriazol-1-yl]-2-hydroxybenzoic acid
CID 82199292
[5-butyl-1-(4-chloro-3-nitrophenyl)triazol-4-yl]methanamine
CID 94938073
[5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol
CID 82196737
[1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine
CID 94938513
ethyl 4-[4-(aminomethyl)-5-propyltriazol-1-yl]benzoate
CID 82195040

Frequently Asked Questions

What is the IUPAC name of [5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine?
The IUPAC name of [5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine (CID 82198141) is [5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine is CCCCc1c(CN)nnn1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine?
The InChIKey is AHSSQHAWGFQUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-5-6-7-16-15(12-18)19-20-21(16)14-10-8-13(9-11-14)17(2,3)4/h8-11H,5-7,12,18H2,1-4H3.
What are the key properties of [5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine?
[5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine has a molecular weight of 286.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82198141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).