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

C12H11ClFN3 — CID 59840755

IUPAC3-(2-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
SMILESFc1ccc(-c2ncc3n2CCNC3)c(Cl)c1
InChIInChI=1S/C12H11ClFN3/c13-11-5-8(14)1-2-10(11)12-16-7-9-6-15-3-4-17(9)12/h1-2,5,7,15H,3-4,6H2
InChIKeySBUHURROFHUSNM-UHFFFAOYSA-N
MW251.69 g/mol
LogP2.45
Rot. Bonds1

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

3-(2-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine (PubChem CID 59840755) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
PubChem CID59840755
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name3-(2-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
SMILESFc1ccc(-c2ncc3n2CCNC3)c(Cl)c1
InChIInChI=1S/C12H11ClFN3/c13-11-5-8(14)1-2-10(11)12-16-7-9-6-15-3-4-17(9)12/h1-2,5,7,15H,3-4,6H2
InChIKeySBUHURROFHUSNM-UHFFFAOYSA-N
XLogP2.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine (CID 59840755) is 3-(2-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine is Fc1ccc(-c2ncc3n2CCNC3)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The InChIKey is SBUHURROFHUSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c13-11-5-8(14)1-2-10(11)12-16-7-9-6-15-3-4-17(9)12/h1-2,5,7,15H,3-4,6H2.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
3-(2-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine has a molecular weight of 251.69 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine is sourced from PubChem (CID 59840755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).