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

C9H14FN3 — CID 164648117

IUPAC3-fluoro-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nccnc1F
InChIInChI=1S/C9H14FN3/c1-3-7(4-2)13-9-8(10)11-5-6-12-9/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyUVDYBZWXPIOGTF-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.22
Rot. Bonds4

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

3-fluoro-N-pentan-3-ylpyrazin-2-amine (PubChem CID 164648117) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-fluoro-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-pentan-3-ylpyrazin-2-amine
PubChem CID164648117
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name3-fluoro-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nccnc1F
InChIInChI=1S/C9H14FN3/c1-3-7(4-2)13-9-8(10)11-5-6-12-9/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyUVDYBZWXPIOGTF-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

Analyze 3-fluoro-N-pentan-3-ylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 3-fluoro-N-pentan-3-ylpyrazin-2-amine (CID 164648117) is 3-fluoro-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3-fluoro-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3-fluoro-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1nccnc1F.
What is the InChIKey of 3-fluoro-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is UVDYBZWXPIOGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-3-7(4-2)13-9-8(10)11-5-6-12-9/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 3-fluoro-N-pentan-3-ylpyrazin-2-amine?
3-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 3-fluoro-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 164648117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).