5-[2-(2,2-difluoroethoxy)ethyl]-N,4-diethyl-1,2,4-triazol-3-amine

C10H18F2N4O — CID 103206962

IUPAC5-[2-(2,2-difluoroethoxy)ethyl]-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(CCOCC(F)F)n1CC
InChIInChI=1S/C10H18F2N4O/c1-3-13-10-15-14-9(16(10)4-2)5-6-17-7-8(11)12/h8H,3-7H2,1-2H3,(H,13,15)
InChIKeyRHGILIUNCYRZKX-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.55
Rot. Bonds8

About 5-[2-(2,2-difluoroethoxy)ethyl]-N,4-diethyl-1,2,4-triazol-3-amine

5-[2-(2,2-difluoroethoxy)ethyl]-N,4-diethyl-1,2,4-triazol-3-amine (PubChem CID 103206962) has the molecular formula C10H18F2N4O and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-[2-(2,2-difluoroethoxy)ethyl]-N,4-diethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[2-(2,2-difluoroethoxy)ethyl]-N,4-diethyl-1,2,4-triazol-3-amine
PubChem CID103206962
Molecular FormulaC10H18F2N4O
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name5-[2-(2,2-difluoroethoxy)ethyl]-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(CCOCC(F)F)n1CC
InChIInChI=1S/C10H18F2N4O/c1-3-13-10-15-14-9(16(10)4-2)5-6-17-7-8(11)12/h8H,3-7H2,1-2H3,(H,13,15)
InChIKeyRHGILIUNCYRZKX-UHFFFAOYSA-N
XLogP1.55
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.55
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-[2-(2,2-difluoroethoxy)ethyl]-N,4-diethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[2-(2,2-difluoroethoxy)ethyl]-N,4-diethyl-1,2,4-triazol-3-amine (CID 103206962) is 5-[2-(2,2-difluoroethoxy)ethyl]-N,4-diethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[2-(2,2-difluoroethoxy)ethyl]-N,4-diethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[2-(2,2-difluoroethoxy)ethyl]-N,4-diethyl-1,2,4-triazol-3-amine is CCNc1nnc(CCOCC(F)F)n1CC.
What is the InChIKey of 5-[2-(2,2-difluoroethoxy)ethyl]-N,4-diethyl-1,2,4-triazol-3-amine?
The InChIKey is RHGILIUNCYRZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N4O/c1-3-13-10-15-14-9(16(10)4-2)5-6-17-7-8(11)12/h8H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 5-[2-(2,2-difluoroethoxy)ethyl]-N,4-diethyl-1,2,4-triazol-3-amine?
5-[2-(2,2-difluoroethoxy)ethyl]-N,4-diethyl-1,2,4-triazol-3-amine has a molecular weight of 248.28 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2-difluoroethoxy)ethyl]-N,4-diethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 103206962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).