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

C11H14F3N5O — CID 80846122

IUPAC6-N-methyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NCCOCC(F)(F)F)n1
InChIInChI=1S/C11H14F3N5O/c1-15-8-6-19-4-2-17-10(19)9(18-8)16-3-5-20-7-11(12,13)14/h2,4,6,15H,3,5,7H2,1H3,(H,16,18)
InChIKeyGZOVQOSVUZVOOQ-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.76
Rot. Bonds6

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

6-N-methyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80846122) has the molecular formula C11H14F3N5O and a molecular weight of 289.26 g/mol. Its IUPAC name is 6-N-methyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name6-N-methyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80846122
Molecular FormulaC11H14F3N5O
Molecular Weight289.26 g/mol
Exact Mass289.12
IUPAC Name6-N-methyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NCCOCC(F)(F)F)n1
InChIInChI=1S/C11H14F3N5O/c1-15-8-6-19-4-2-17-10(19)9(18-8)16-3-5-20-7-11(12,13)14/h2,4,6,15H,3,5,7H2,1H3,(H,16,18)
InChIKeyGZOVQOSVUZVOOQ-UHFFFAOYSA-N
XLogP1.76
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.76
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 6-N-methyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 6-N-methyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (CID 80846122) is 6-N-methyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 6-N-methyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 6-N-methyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is CNc1cn2ccnc2c(NCCOCC(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is GZOVQOSVUZVOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O/c1-15-8-6-19-4-2-17-10(19)9(18-8)16-3-5-20-7-11(12,13)14/h2,4,6,15H,3,5,7H2,1H3,(H,16,18).
What are the key properties of 6-N-methyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
6-N-methyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 289.26 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-8-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80846122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).