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

C12H16F3N5O — CID 80819269

IUPAC6-N-ethyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCNc1cn2ccnc2c(NCCOCC(F)(F)F)n1
InChIInChI=1S/C12H16F3N5O/c1-2-16-9-7-20-5-3-18-11(20)10(19-9)17-4-6-21-8-12(13,14)15/h3,5,7,16H,2,4,6,8H2,1H3,(H,17,19)
InChIKeyIPYHIJGHJYWHTR-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.15
Rot. Bonds7

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

6-N-ethyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80819269) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is 6-N-ethyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name6-N-ethyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80819269
Molecular FormulaC12H16F3N5O
Molecular Weight303.29 g/mol
Exact Mass303.13
IUPAC Name6-N-ethyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCNc1cn2ccnc2c(NCCOCC(F)(F)F)n1
InChIInChI=1S/C12H16F3N5O/c1-2-16-9-7-20-5-3-18-11(20)10(19-9)17-4-6-21-8-12(13,14)15/h3,5,7,16H,2,4,6,8H2,1H3,(H,17,19)
InChIKeyIPYHIJGHJYWHTR-UHFFFAOYSA-N
XLogP2.15
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.15
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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Related Compounds

Imidazo[1,2-a]pyrazin-8-amine, N-ethyl-
CID 11819354
8-Morpholinoimidazo[1,2-a]pyrazine
CID 11820232
N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine
CID 49791479
8-N-[2-(fluoromethoxy)ethyl]imidazo[1,2-a]pyrazine-3,8-diamine
CID 71193446
8-N-(2,2-difluoropropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 170784011
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 43088545
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 43111972
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 43132175
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethoxyethanamine
CID 43591014
1-(2-Methoxyethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazine
CID 53549012
1-(4-methylmorpholin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
CID 53551611
1-(2-Ethoxyethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazine
CID 53561042

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 6-N-ethyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (CID 80819269) is 6-N-ethyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 6-N-ethyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 6-N-ethyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is CCNc1cn2ccnc2c(NCCOCC(F)(F)F)n1.
What is the InChIKey of 6-N-ethyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is IPYHIJGHJYWHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O/c1-2-16-9-7-20-5-3-18-11(20)10(19-9)17-4-6-21-8-12(13,14)15/h3,5,7,16H,2,4,6,8H2,1H3,(H,17,19).
What are the key properties of 6-N-ethyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
6-N-ethyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 303.29 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80819269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).