2-fluoro-5-(4-methylpiperazin-1-yl)pyrazine

C9H13FN4 — CID 144620539

IUPAC2-fluoro-5-(4-methylpiperazin-1-yl)pyrazine
SMILESCN1CCN(c2cnc(F)cn2)CC1
InChIInChI=1S/C9H13FN4/c1-13-2-4-14(5-3-13)9-7-11-8(10)6-12-9/h6-7H,2-5H2,1H3
InChIKeyZZBLJGFVMPKVHO-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.37
Rot. Bonds1

About 2-fluoro-5-(4-methylpiperazin-1-yl)pyrazine

2-fluoro-5-(4-methylpiperazin-1-yl)pyrazine (PubChem CID 144620539) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-fluoro-5-(4-methylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-fluoro-5-(4-methylpiperazin-1-yl)pyrazine
PubChem CID144620539
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name2-fluoro-5-(4-methylpiperazin-1-yl)pyrazine
SMILESCN1CCN(c2cnc(F)cn2)CC1
InChIInChI=1S/C9H13FN4/c1-13-2-4-14(5-3-13)9-7-11-8(10)6-12-9/h6-7H,2-5H2,1H3
InChIKeyZZBLJGFVMPKVHO-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(4-methylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-fluoro-5-(4-methylpiperazin-1-yl)pyrazine (CID 144620539) is 2-fluoro-5-(4-methylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-fluoro-5-(4-methylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-fluoro-5-(4-methylpiperazin-1-yl)pyrazine is CN1CCN(c2cnc(F)cn2)CC1.
What is the InChIKey of 2-fluoro-5-(4-methylpiperazin-1-yl)pyrazine?
The InChIKey is ZZBLJGFVMPKVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4/c1-13-2-4-14(5-3-13)9-7-11-8(10)6-12-9/h6-7H,2-5H2,1H3.
What are the key properties of 2-fluoro-5-(4-methylpiperazin-1-yl)pyrazine?
2-fluoro-5-(4-methylpiperazin-1-yl)pyrazine has a molecular weight of 196.23 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(4-methylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 144620539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).