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

C10H15F3N4O — CID 79547320

IUPAC5-cyclopropyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine
SMILESNc1nnn(CCCOCC(F)(F)F)c1C1CC1
InChIInChI=1S/C10H15F3N4O/c11-10(12,13)6-18-5-1-4-17-8(7-2-3-7)9(14)15-16-17/h7H,1-6,14H2
InChIKeyTXQHFLYIEISITE-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.71
Rot. Bonds6

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

5-cyclopropyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine (PubChem CID 79547320) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 5-cyclopropyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine
PubChem CID79547320
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name5-cyclopropyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine
SMILESNc1nnn(CCCOCC(F)(F)F)c1C1CC1
InChIInChI=1S/C10H15F3N4O/c11-10(12,13)6-18-5-1-4-17-8(7-2-3-7)9(14)15-16-17/h7H,1-6,14H2
InChIKeyTXQHFLYIEISITE-UHFFFAOYSA-N
XLogP1.71
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine?
The IUPAC name of 5-cyclopropyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine (CID 79547320) is 5-cyclopropyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine.
What is the SMILES notation for 5-cyclopropyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine?
The canonical SMILES for 5-cyclopropyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine is Nc1nnn(CCCOCC(F)(F)F)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine?
The InChIKey is TXQHFLYIEISITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c11-10(12,13)6-18-5-1-4-17-8(7-2-3-7)9(14)15-16-17/h7H,1-6,14H2.
What are the key properties of 5-cyclopropyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine?
5-cyclopropyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine has a molecular weight of 264.25 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine is sourced from PubChem (CID 79547320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).