N-[2-(2,2-difluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C9H11F2N5O — CID 103081314

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESFC(F)COCCNc1nccn2cnnc12
InChIInChI=1S/C9H11F2N5O/c10-7(11)5-17-4-2-13-8-9-15-14-6-16(9)3-1-12-8/h1,3,6-7H,2,4-5H2,(H,12,13)
InChIKeyRFAZAGMRTGICLZ-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.82
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-[2-(2,2-difluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 103081314) has the molecular formula C9H11F2N5O and a molecular weight of 243.22 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID103081314
Molecular FormulaC9H11F2N5O
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESFC(F)COCCNc1nccn2cnnc12
InChIInChI=1S/C9H11F2N5O/c10-7(11)5-17-4-2-13-8-9-15-14-6-16(9)3-1-12-8/h1,3,6-7H,2,4-5H2,(H,12,13)
InChIKeyRFAZAGMRTGICLZ-UHFFFAOYSA-N
XLogP0.82
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[2-(2,2-difluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 103081314) is N-[2-(2,2-difluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is FC(F)COCCNc1nccn2cnnc12.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is RFAZAGMRTGICLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N5O/c10-7(11)5-17-4-2-13-8-9-15-14-6-16(9)3-1-12-8/h1,3,6-7H,2,4-5H2,(H,12,13).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 243.22 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 103081314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).