N-ethyl-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine

C11H13F3N4O — CID 80877879

IUPACN-ethyl-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine
SMILESCCNc1cn2ccnc2c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C11H13F3N4O/c1-3-15-8-6-18-5-4-16-9(18)10(17-8)19-7(2)11(12,13)14/h4-7,15H,3H2,1-2H3
InChIKeySRTUETCTSZXLQC-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.49
Rot. Bonds4

About N-ethyl-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine

N-ethyl-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine (PubChem CID 80877879) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is N-ethyl-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound NameN-ethyl-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine
PubChem CID80877879
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC NameN-ethyl-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine
SMILESCCNc1cn2ccnc2c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C11H13F3N4O/c1-3-15-8-6-18-5-4-16-9(18)10(17-8)19-7(2)11(12,13)14/h4-7,15H,3H2,1-2H3
InChIKeySRTUETCTSZXLQC-UHFFFAOYSA-N
XLogP2.49
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of N-ethyl-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine (CID 80877879) is N-ethyl-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for N-ethyl-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for N-ethyl-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine is CCNc1cn2ccnc2c(OC(C)C(F)(F)F)n1.
What is the InChIKey of N-ethyl-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine?
The InChIKey is SRTUETCTSZXLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-3-15-8-6-18-5-4-16-9(18)10(17-8)19-7(2)11(12,13)14/h4-7,15H,3H2,1-2H3.
What are the key properties of N-ethyl-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine?
N-ethyl-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine has a molecular weight of 274.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 80877879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).