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

C6H10F2N4O — CID 103206950

IUPAC5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(CCOCC(F)F)n1
InChIInChI=1S/C6H10F2N4O/c7-4(8)3-13-2-1-5-10-6(9)12-11-5/h4H,1-3H2,(H3,9,10,11,12)
InChIKeyGWHQQCPXPLWEHT-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.21
Rot. Bonds5

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

5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-amine (PubChem CID 103206950) has the molecular formula C6H10F2N4O and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-amine
PubChem CID103206950
Molecular FormulaC6H10F2N4O
Molecular Weight192.17 g/mol
Exact Mass192.08
IUPAC Name5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(CCOCC(F)F)n1
InChIInChI=1S/C6H10F2N4O/c7-4(8)3-13-2-1-5-10-6(9)12-11-5/h4H,1-3H2,(H3,9,10,11,12)
InChIKeyGWHQQCPXPLWEHT-UHFFFAOYSA-N
XLogP0.21
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-amine (CID 103206950) is 5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(CCOCC(F)F)n1.
What is the InChIKey of 5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is GWHQQCPXPLWEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N4O/c7-4(8)3-13-2-1-5-10-6(9)12-11-5/h4H,1-3H2,(H3,9,10,11,12).
What are the key properties of 5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-amine?
5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 192.17 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 103206950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).