5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine

C9H15F3N4O — CID 79542767

IUPAC5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine
SMILESCCCc1c(N)nnn1CCOCC(F)(F)F
InChIInChI=1S/C9H15F3N4O/c1-2-3-7-8(13)14-15-16(7)4-5-17-6-9(10,11)12/h2-6,13H2,1H3
InChIKeyWICUWUJZIOMKFR-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.39
Rot. Bonds6

About 5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine

5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine (PubChem CID 79542767) has the molecular formula C9H15F3N4O and a molecular weight of 252.24 g/mol. Its IUPAC name is 5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine.

Molecular Properties

Compound Name5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine
PubChem CID79542767
Molecular FormulaC9H15F3N4O
Molecular Weight252.24 g/mol
Exact Mass252.12
IUPAC Name5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine
SMILESCCCc1c(N)nnn1CCOCC(F)(F)F
InChIInChI=1S/C9H15F3N4O/c1-2-3-7-8(13)14-15-16(7)4-5-17-6-9(10,11)12/h2-6,13H2,1H3
InChIKeyWICUWUJZIOMKFR-UHFFFAOYSA-N
XLogP1.39
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-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

5-Ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine
CID 79542054
5-Ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine
CID 79542145
5-Tert-butyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine
CID 79542288
5-Methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine
CID 79542302
5-Propyl-1-(2,2,2-trifluoroethyl)triazol-4-amine
CID 79542372
5-Propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine
CID 79542461
1-(2,2-Difluoroethyl)-5-propyltriazol-4-amine
CID 79542477
5-Propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine
CID 79542480
5-Propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine
CID 79542847
5-Propyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine
CID 79542854
5-Propyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
CID 79542862
5-Propan-2-yl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine
CID 79542932

Frequently Asked Questions

What is the IUPAC name of 5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine?
The IUPAC name of 5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine (CID 79542767) is 5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine.
What is the SMILES notation for 5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine?
The canonical SMILES for 5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine is CCCc1c(N)nnn1CCOCC(F)(F)F.
What is the InChIKey of 5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine?
The InChIKey is WICUWUJZIOMKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O/c1-2-3-7-8(13)14-15-16(7)4-5-17-6-9(10,11)12/h2-6,13H2,1H3.
What are the key properties of 5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine?
5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine has a molecular weight of 252.24 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine is sourced from PubChem (CID 79542767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).