N-methyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine

C11H13F3N4O — CID 82793598

IUPACN-methyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine
SMILESCNc1cn2ccnc2c(OCCCC(F)(F)F)n1
InChIInChI=1S/C11H13F3N4O/c1-15-8-7-18-5-4-16-9(18)10(17-8)19-6-2-3-11(12,13)14/h4-5,7,15H,2-3,6H2,1H3
InChIKeyRSRHURPKKMEHLV-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.49
Rot. Bonds5

About N-methyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine

N-methyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine (PubChem CID 82793598) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is N-methyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound NameN-methyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine
PubChem CID82793598
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC NameN-methyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine
SMILESCNc1cn2ccnc2c(OCCCC(F)(F)F)n1
InChIInChI=1S/C11H13F3N4O/c1-15-8-7-18-5-4-16-9(18)10(17-8)19-6-2-3-11(12,13)14/h4-5,7,15H,2-3,6H2,1H3
InChIKeyRSRHURPKKMEHLV-UHFFFAOYSA-N
XLogP2.49
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

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-methyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of N-methyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine (CID 82793598) is N-methyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for N-methyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for N-methyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine is CNc1cn2ccnc2c(OCCCC(F)(F)F)n1.
What is the InChIKey of N-methyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine?
The InChIKey is RSRHURPKKMEHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-15-8-7-18-5-4-16-9(18)10(17-8)19-6-2-3-11(12,13)14/h4-5,7,15H,2-3,6H2,1H3.
What are the key properties of N-methyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine?
N-methyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine has a molecular weight of 274.25 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 82793598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).