6-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)pyrazin-2-amine

C10H12FN3O — CID 164646871

IUPAC6-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)pyrazin-2-amine
SMILESFc1cncc(NCC2C3COCC23)n1
InChIInChI=1S/C10H12FN3O/c11-9-2-12-3-10(14-9)13-1-6-7-4-15-5-8(6)7/h2-3,6-8H,1,4-5H2,(H,13,14)
InChIKeyRYJFMTNSSAQZBK-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.92
Rot. Bonds3

About 6-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)pyrazin-2-amine

6-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)pyrazin-2-amine (PubChem CID 164646871) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 6-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)pyrazin-2-amine
PubChem CID164646871
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name6-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)pyrazin-2-amine
SMILESFc1cncc(NCC2C3COCC23)n1
InChIInChI=1S/C10H12FN3O/c11-9-2-12-3-10(14-9)13-1-6-7-4-15-5-8(6)7/h2-3,6-8H,1,4-5H2,(H,13,14)
InChIKeyRYJFMTNSSAQZBK-UHFFFAOYSA-N
XLogP0.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)pyrazin-2-amine?
The IUPAC name of 6-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)pyrazin-2-amine (CID 164646871) is 6-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 6-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)pyrazin-2-amine is Fc1cncc(NCC2C3COCC23)n1.
What is the InChIKey of 6-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)pyrazin-2-amine?
The InChIKey is RYJFMTNSSAQZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c11-9-2-12-3-10(14-9)13-1-6-7-4-15-5-8(6)7/h2-3,6-8H,1,4-5H2,(H,13,14).
What are the key properties of 6-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)pyrazin-2-amine?
6-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)pyrazin-2-amine has a molecular weight of 209.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 164646871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).