5-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine

C10H17F3N4O — CID 79542480

IUPAC5-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine
SMILESCCCc1c(N)nnn1CCCOCC(F)(F)F
InChIInChI=1S/C10H17F3N4O/c1-2-4-8-9(14)15-16-17(8)5-3-6-18-7-10(11,12)13/h2-7,14H2,1H3
InChIKeyVRUKNLPNINRIFQ-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.78
Rot. Bonds7

About 5-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine

5-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine (PubChem CID 79542480) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is 5-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine.

Molecular Properties

Compound Name5-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine
PubChem CID79542480
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC Name5-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine
SMILESCCCc1c(N)nnn1CCCOCC(F)(F)F
InChIInChI=1S/C10H17F3N4O/c1-2-4-8-9(14)15-16-17(8)5-3-6-18-7-10(11,12)13/h2-7,14H2,1H3
InChIKeyVRUKNLPNINRIFQ-UHFFFAOYSA-N
XLogP1.78
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-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-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine
CID 79542767
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
5-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine
CID 79543002
5-Ethyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine
CID 79543014

Frequently Asked Questions

What is the IUPAC name of 5-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine?
The IUPAC name of 5-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine (CID 79542480) is 5-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine.
What is the SMILES notation for 5-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine?
The canonical SMILES for 5-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine is CCCc1c(N)nnn1CCCOCC(F)(F)F.
What is the InChIKey of 5-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine?
The InChIKey is VRUKNLPNINRIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-2-4-8-9(14)15-16-17(8)5-3-6-18-7-10(11,12)13/h2-7,14H2,1H3.
What are the key properties of 5-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine?
5-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine has a molecular weight of 266.27 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine is sourced from PubChem (CID 79542480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).