1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine

C8H13F3N4 — CID 104999487

IUPAC1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCC(C)n1ncnc1CC(N)C(F)(F)F
InChIInChI=1S/C8H13F3N4/c1-5(2)15-7(13-4-14-15)3-6(12)8(9,10)11/h4-6H,3,12H2,1-2H3
InChIKeyQPNRLQNVDCUIPD-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.29
Rot. Bonds3

About 1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine

1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 104999487) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID104999487
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCC(C)n1ncnc1CC(N)C(F)(F)F
InChIInChI=1S/C8H13F3N4/c1-5(2)15-7(13-4-14-15)3-6(12)8(9,10)11/h4-6H,3,12H2,1-2H3
InChIKeyQPNRLQNVDCUIPD-UHFFFAOYSA-N
XLogP1.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine 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

1,1,1-trifluoro-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999794
1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002958
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 104999438
(2S)-2-amino-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propanoic acid
CID 106702633
1-(4-tert-butylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999770
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 105317424
5-[2-(bromomethyl)-3,3-dimethylbutyl]-1-propan-2-yl-1,2,4-triazole
CID 83142306
1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999458
[1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105214004
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880
1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999756

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine (CID 104999487) is 1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine is CC(C)n1ncnc1CC(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is QPNRLQNVDCUIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-5(2)15-7(13-4-14-15)3-6(12)8(9,10)11/h4-6H,3,12H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 222.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 104999487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).