8-(3-fluoropropylsulfanyl)imidazo[1,2-a]pyrazine

C9H10FN3S — CID 99839233

IUPAC8-(3-fluoropropylsulfanyl)imidazo[1,2-a]pyrazine
SMILESFCCCSc1nccn2ccnc12
InChIInChI=1S/C9H10FN3S/c10-2-1-7-14-9-8-11-3-5-13(8)6-4-12-9/h3-6H,1-2,7H2
InChIKeyDZTUUCSZGDCVSG-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.18
Rot. Bonds4

About 8-(3-fluoropropylsulfanyl)imidazo[1,2-a]pyrazine

8-(3-fluoropropylsulfanyl)imidazo[1,2-a]pyrazine (PubChem CID 99839233) has the molecular formula C9H10FN3S and a molecular weight of 211.27 g/mol. Its IUPAC name is 8-(3-fluoropropylsulfanyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-(3-fluoropropylsulfanyl)imidazo[1,2-a]pyrazine
PubChem CID99839233
Molecular FormulaC9H10FN3S
Molecular Weight211.27 g/mol
Exact Mass211.06
IUPAC Name8-(3-fluoropropylsulfanyl)imidazo[1,2-a]pyrazine
SMILESFCCCSc1nccn2ccnc12
InChIInChI=1S/C9H10FN3S/c10-2-1-7-14-9-8-11-3-5-13(8)6-4-12-9/h3-6H,1-2,7H2
InChIKeyDZTUUCSZGDCVSG-UHFFFAOYSA-N
XLogP2.18
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-fluoropropylsulfanyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 8-(3-fluoropropylsulfanyl)imidazo[1,2-a]pyrazine (CID 99839233) is 8-(3-fluoropropylsulfanyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-(3-fluoropropylsulfanyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-(3-fluoropropylsulfanyl)imidazo[1,2-a]pyrazine is FCCCSc1nccn2ccnc12.
What is the InChIKey of 8-(3-fluoropropylsulfanyl)imidazo[1,2-a]pyrazine?
The InChIKey is DZTUUCSZGDCVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3S/c10-2-1-7-14-9-8-11-3-5-13(8)6-4-12-9/h3-6H,1-2,7H2.
What are the key properties of 8-(3-fluoropropylsulfanyl)imidazo[1,2-a]pyrazine?
8-(3-fluoropropylsulfanyl)imidazo[1,2-a]pyrazine has a molecular weight of 211.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoropropylsulfanyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 99839233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).