3-(5-aminopyrazin-2-yl)-6-ethyl-2-fluorophenol

C12H12FN3O — CID 90310579

IUPAC3-(5-aminopyrazin-2-yl)-6-ethyl-2-fluorophenol
SMILESCCc1ccc(-c2cnc(N)cn2)c(F)c1O
InChIInChI=1S/C12H12FN3O/c1-2-7-3-4-8(11(13)12(7)17)9-5-16-10(14)6-15-9/h3-6,17H,2H2,1H3,(H2,14,16)
InChIKeySFPZVWOXYVDKEA-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.13
Rot. Bonds2

About 3-(5-aminopyrazin-2-yl)-6-ethyl-2-fluorophenol

3-(5-aminopyrazin-2-yl)-6-ethyl-2-fluorophenol (PubChem CID 90310579) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-(5-aminopyrazin-2-yl)-6-ethyl-2-fluorophenol.

Molecular Properties

Compound Name3-(5-aminopyrazin-2-yl)-6-ethyl-2-fluorophenol
PubChem CID90310579
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name3-(5-aminopyrazin-2-yl)-6-ethyl-2-fluorophenol
SMILESCCc1ccc(-c2cnc(N)cn2)c(F)c1O
InChIInChI=1S/C12H12FN3O/c1-2-7-3-4-8(11(13)12(7)17)9-5-16-10(14)6-15-9/h3-6,17H,2H2,1H3,(H2,14,16)
InChIKeySFPZVWOXYVDKEA-UHFFFAOYSA-N
XLogP2.13
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-aminopyrazin-2-yl)-6-ethyl-2-fluorophenol?
The IUPAC name of 3-(5-aminopyrazin-2-yl)-6-ethyl-2-fluorophenol (CID 90310579) is 3-(5-aminopyrazin-2-yl)-6-ethyl-2-fluorophenol.
What is the SMILES notation for 3-(5-aminopyrazin-2-yl)-6-ethyl-2-fluorophenol?
The canonical SMILES for 3-(5-aminopyrazin-2-yl)-6-ethyl-2-fluorophenol is CCc1ccc(-c2cnc(N)cn2)c(F)c1O.
What is the InChIKey of 3-(5-aminopyrazin-2-yl)-6-ethyl-2-fluorophenol?
The InChIKey is SFPZVWOXYVDKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-2-7-3-4-8(11(13)12(7)17)9-5-16-10(14)6-15-9/h3-6,17H,2H2,1H3,(H2,14,16).
What are the key properties of 3-(5-aminopyrazin-2-yl)-6-ethyl-2-fluorophenol?
3-(5-aminopyrazin-2-yl)-6-ethyl-2-fluorophenol has a molecular weight of 233.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminopyrazin-2-yl)-6-ethyl-2-fluorophenol is sourced from PubChem (CID 90310579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).