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

C12H12ClN3 — CID 82475714

IUPAC3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
SMILESClc1ccc(-c2ncc3n2CCNC3)cc1
InChIInChI=1S/C12H12ClN3/c13-10-3-1-9(2-4-10)12-15-8-11-7-14-5-6-16(11)12/h1-4,8,14H,5-7H2
InChIKeyGNEISWISXRVBOC-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.31
Rot. Bonds1

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

3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine (PubChem CID 82475714) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
PubChem CID82475714
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
SMILESClc1ccc(-c2ncc3n2CCNC3)cc1
InChIInChI=1S/C12H12ClN3/c13-10-3-1-9(2-4-10)12-15-8-11-7-14-5-6-16(11)12/h1-4,8,14H,5-7H2
InChIKeyGNEISWISXRVBOC-UHFFFAOYSA-N
XLogP2.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The IUPAC name of 3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine (CID 82475714) is 3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine.
What is the SMILES notation for 3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The canonical SMILES for 3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine is Clc1ccc(-c2ncc3n2CCNC3)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The InChIKey is GNEISWISXRVBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-10-3-1-9(2-4-10)12-15-8-11-7-14-5-6-16(11)12/h1-4,8,14H,5-7H2.
What are the key properties of 3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine has a molecular weight of 233.70 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine is sourced from PubChem (CID 82475714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).