[4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-yl]methanamine

C14H19FN4 — CID 112593345

IUPAC[4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCc1ccc(F)c(-c2nnc(CN)n2C(C)(C)C)c1
InChIInChI=1S/C14H19FN4/c1-9-5-6-11(15)10(7-9)13-18-17-12(8-16)19(13)14(2,3)4/h5-7H,8,16H2,1-4H3
InChIKeyGZLUEQGCDORYHN-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.61
Rot. Bonds2

About [4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-yl]methanamine

[4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593345) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is [4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID112593345
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name[4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCc1ccc(F)c(-c2nnc(CN)n2C(C)(C)C)c1
InChIInChI=1S/C14H19FN4/c1-9-5-6-11(15)10(7-9)13-18-17-12(8-16)19(13)14(2,3)4/h5-7H,8,16H2,1-4H3
InChIKeyGZLUEQGCDORYHN-UHFFFAOYSA-N
XLogP2.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-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

[4-tert-butyl-5-(2,6-difluoro-3-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 115944116
[5-(2-bromo-5-fluorophenyl)-4-tert-butyl-1,2,4-triazol-3-yl]methanamine
CID 112593408
[4-tert-butyl-5-(4-chloro-2-nitrophenyl)-1,2,4-triazol-3-yl]methanamine
CID 115944100
3-(bromomethyl)-5-(2-fluoro-5-methylphenyl)-4-methyl-1,2,4-triazole
CID 115399976
[4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol
CID 115396506
[4-tert-butyl-5-(3-methyl-2-nitrophenyl)-1,2,4-triazol-3-yl]methanamine
CID 115944081
[5-(2-fluoro-4-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594195
4-tert-butyl-3-(chloromethyl)-5-(2,4-difluorophenyl)-1,2,4-triazole
CID 113301986
[5-(2-bromo-3-fluorophenyl)-4-tert-butyl-1,2,4-triazol-3-yl]methanol
CID 115396431
[5-(4-chloro-2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 112593844
4-tert-butyl-3-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2,4-triazole
CID 115397876
4-tert-butyl-3-(chloromethyl)-5-(5-fluoro-2-methylphenyl)-1,2,4-triazole
CID 113302014

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-yl]methanamine (CID 112593345) is [4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-yl]methanamine is Cc1ccc(F)c(-c2nnc(CN)n2C(C)(C)C)c1.
What is the InChIKey of [4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is GZLUEQGCDORYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-9-5-6-11(15)10(7-9)13-18-17-12(8-16)19(13)14(2,3)4/h5-7H,8,16H2,1-4H3.
What are the key properties of [4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
[4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 262.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).