8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine

C10H12F3N5O — CID 80846578

IUPAC8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESNc1cn2ccnc2c(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H12F3N5O/c11-10(12,13)6-19-4-2-15-8-9-16-1-3-18(9)5-7(14)17-8/h1,3,5H,2,4,6,14H2,(H,15,17)
InChIKeyUQMBAPNFIXFNEF-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.30
Rot. Bonds5

About 8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine

8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80846578) has the molecular formula C10H12F3N5O and a molecular weight of 275.23 g/mol. Its IUPAC name is 8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80846578
Molecular FormulaC10H12F3N5O
Molecular Weight275.23 g/mol
Exact Mass275.10
IUPAC Name8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESNc1cn2ccnc2c(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H12F3N5O/c11-10(12,13)6-19-4-2-15-8-9-16-1-3-18(9)5-7(14)17-8/h1,3,5H,2,4,6,14H2,(H,15,17)
InChIKeyUQMBAPNFIXFNEF-UHFFFAOYSA-N
XLogP1.30
TPSA77.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
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 8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (CID 80846578) is 8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is Nc1cn2ccnc2c(NCCOCC(F)(F)F)n1.
What is the InChIKey of 8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is UQMBAPNFIXFNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O/c11-10(12,13)6-19-4-2-15-8-9-16-1-3-18(9)5-7(14)17-8/h1,3,5H,2,4,6,14H2,(H,15,17).
What are the key properties of 8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 275.23 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80846578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).