2-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

C16H21N3 — CID 63034204

IUPAC2-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCC(C)(C)c1ccc(-c2cn3c(n2)CNCC3)cc1
InChIInChI=1S/C16H21N3/c1-16(2,3)13-6-4-12(5-7-13)14-11-19-9-8-17-10-15(19)18-14/h4-7,11,17H,8-10H2,1-3H3
InChIKeyLBOPWSSPVIHZJN-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.95
Rot. Bonds1

About 2-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

2-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (PubChem CID 63034204) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
PubChem CID63034204
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCC(C)(C)c1ccc(-c2cn3c(n2)CNCC3)cc1
InChIInChI=1S/C16H21N3/c1-16(2,3)13-6-4-12(5-7-13)14-11-19-9-8-17-10-15(19)18-14/h4-7,11,17H,8-10H2,1-3H3
InChIKeyLBOPWSSPVIHZJN-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 2-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CID 63034204) is 2-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 2-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is CC(C)(C)c1ccc(-c2cn3c(n2)CNCC3)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The InChIKey is LBOPWSSPVIHZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2,3)13-6-4-12(5-7-13)14-11-19-9-8-17-10-15(19)18-14/h4-7,11,17H,8-10H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
2-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine has a molecular weight of 255.37 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 63034204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).