6-fluoro-N-pentan-3-ylpyrazin-2-amine

C9H14FN3 — CID 164646810

IUPAC6-fluoro-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1cncc(F)n1
InChIInChI=1S/C9H14FN3/c1-3-7(4-2)12-9-6-11-5-8(10)13-9/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyMJASQKSUVBPJAW-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.22
Rot. Bonds4

About 6-fluoro-N-pentan-3-ylpyrazin-2-amine

6-fluoro-N-pentan-3-ylpyrazin-2-amine (PubChem CID 164646810) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 6-fluoro-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-pentan-3-ylpyrazin-2-amine
PubChem CID164646810
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name6-fluoro-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1cncc(F)n1
InChIInChI=1S/C9H14FN3/c1-3-7(4-2)12-9-6-11-5-8(10)13-9/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyMJASQKSUVBPJAW-UHFFFAOYSA-N
XLogP2.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 6-fluoro-N-pentan-3-ylpyrazin-2-amine (CID 164646810) is 6-fluoro-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 6-fluoro-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 6-fluoro-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1cncc(F)n1.
What is the InChIKey of 6-fluoro-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is MJASQKSUVBPJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-3-7(4-2)12-9-6-11-5-8(10)13-9/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 6-fluoro-N-pentan-3-ylpyrazin-2-amine?
6-fluoro-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 183.23 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 164646810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).