8-N-[2-(fluoromethoxy)ethyl]imidazo[1,2-a]pyrazine-3,8-diamine

C9H12FN5O — CID 71193446

IUPAC8-N-[2-(fluoromethoxy)ethyl]imidazo[1,2-a]pyrazine-3,8-diamine
SMILESNc1cnc2c(NCCOCF)nccn12
InChIInChI=1S/C9H12FN5O/c10-6-16-4-2-13-8-9-14-5-7(11)15(9)3-1-12-8/h1,3,5H,2,4,6,11H2,(H,12,13)
InChIKeyGNLSZTSSDSPPBK-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.67
Rot. Bonds5

About 8-N-[2-(fluoromethoxy)ethyl]imidazo[1,2-a]pyrazine-3,8-diamine

8-N-[2-(fluoromethoxy)ethyl]imidazo[1,2-a]pyrazine-3,8-diamine (PubChem CID 71193446) has the molecular formula C9H12FN5O and a molecular weight of 225.23 g/mol. Its IUPAC name is 8-N-[2-(fluoromethoxy)ethyl]imidazo[1,2-a]pyrazine-3,8-diamine.

Molecular Properties

Compound Name8-N-[2-(fluoromethoxy)ethyl]imidazo[1,2-a]pyrazine-3,8-diamine
PubChem CID71193446
Molecular FormulaC9H12FN5O
Molecular Weight225.23 g/mol
Exact Mass225.10
IUPAC Name8-N-[2-(fluoromethoxy)ethyl]imidazo[1,2-a]pyrazine-3,8-diamine
SMILESNc1cnc2c(NCCOCF)nccn12
InChIInChI=1S/C9H12FN5O/c10-6-16-4-2-13-8-9-14-5-7(11)15(9)3-1-12-8/h1,3,5H,2,4,6,11H2,(H,12,13)
InChIKeyGNLSZTSSDSPPBK-UHFFFAOYSA-N
XLogP0.67
TPSA77.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.67
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-(fluoromethoxy)ethyl]imidazo[1,2-a]pyrazine-3,8-diamine?
The IUPAC name of 8-N-[2-(fluoromethoxy)ethyl]imidazo[1,2-a]pyrazine-3,8-diamine (CID 71193446) is 8-N-[2-(fluoromethoxy)ethyl]imidazo[1,2-a]pyrazine-3,8-diamine.
What is the SMILES notation for 8-N-[2-(fluoromethoxy)ethyl]imidazo[1,2-a]pyrazine-3,8-diamine?
The canonical SMILES for 8-N-[2-(fluoromethoxy)ethyl]imidazo[1,2-a]pyrazine-3,8-diamine is Nc1cnc2c(NCCOCF)nccn12.
What is the InChIKey of 8-N-[2-(fluoromethoxy)ethyl]imidazo[1,2-a]pyrazine-3,8-diamine?
The InChIKey is GNLSZTSSDSPPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN5O/c10-6-16-4-2-13-8-9-14-5-7(11)15(9)3-1-12-8/h1,3,5H,2,4,6,11H2,(H,12,13).
What are the key properties of 8-N-[2-(fluoromethoxy)ethyl]imidazo[1,2-a]pyrazine-3,8-diamine?
8-N-[2-(fluoromethoxy)ethyl]imidazo[1,2-a]pyrazine-3,8-diamine has a molecular weight of 225.23 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[2-(fluoromethoxy)ethyl]imidazo[1,2-a]pyrazine-3,8-diamine is sourced from PubChem (CID 71193446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).