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

C8H13F3N4 — CID 105002958

IUPAC1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCCn1ncnc1CC(N)C(F)(F)F
InChIInChI=1S/C8H13F3N4/c1-2-3-15-7(13-5-14-15)4-6(12)8(9,10)11/h5-6H,2-4,12H2,1H3
InChIKeyNBYNODCVZUBVHD-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.12
Rot. Bonds4

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

1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 105002958) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID105002958
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCCn1ncnc1CC(N)C(F)(F)F
InChIInChI=1S/C8H13F3N4/c1-2-3-15-7(13-5-14-15)4-6(12)8(9,10)11/h5-6H,2-4,12H2,1H3
InChIKeyNBYNODCVZUBVHD-UHFFFAOYSA-N
XLogP1.12
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-3-(2-propyl-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

4,4,4-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312099
3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79045251
3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79060447
1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999487
3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 83138306
1-(3-bicyclo[3.1.0]hexanyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003165
N-ethyl-5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79954945
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003205
2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105003253
5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79964580
5-[2-(chloromethyl)butyl]-1-propyl-1,2,4-triazole
CID 66034116

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine (CID 105002958) is 1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine is CCCn1ncnc1CC(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is NBYNODCVZUBVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-2-3-15-7(13-5-14-15)4-6(12)8(9,10)11/h5-6H,2-4,12H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 222.21 g/mol, XLogP of 1.12, 4 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-propyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 105002958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).