3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

C13H14FN3 — CID 103341959

IUPAC3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCc1cc(F)ccc1-c1cnc2n1CCNC2
InChIInChI=1S/C13H14FN3/c1-9-6-10(14)2-3-11(9)12-7-16-13-8-15-4-5-17(12)13/h2-3,6-7,15H,4-5,8H2,1H3
InChIKeyNKRCBUJTGLNWHC-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.10
Rot. Bonds1

About 3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (PubChem CID 103341959) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
PubChem CID103341959
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCc1cc(F)ccc1-c1cnc2n1CCNC2
InChIInChI=1S/C13H14FN3/c1-9-6-10(14)2-3-11(9)12-7-16-13-8-15-4-5-17(12)13/h2-3,6-7,15H,4-5,8H2,1H3
InChIKeyNKRCBUJTGLNWHC-UHFFFAOYSA-N
XLogP2.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CID 103341959) is 3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is Cc1cc(F)ccc1-c1cnc2n1CCNC2.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The InChIKey is NKRCBUJTGLNWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-9-6-10(14)2-3-11(9)12-7-16-13-8-15-4-5-17(12)13/h2-3,6-7,15H,4-5,8H2,1H3.
What are the key properties of 3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine has a molecular weight of 231.27 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 103341959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).