3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine

C18H18N4 — CID 68711191

IUPAC3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(C=Cc3ccccc3)c12
InChIInChI=1S/C18H18N4/c19-17-16-15(10-9-13-5-2-1-3-6-13)21-18(14-7-4-8-14)22(16)12-11-20-17/h1-3,5-6,9-12,14H,4,7-8H2,(H2,19,20)
InChIKeyXDDIHGHVKYVULN-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.75
Rot. Bonds3

About 3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine

3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 68711191) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID68711191
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(C=Cc3ccccc3)c12
InChIInChI=1S/C18H18N4/c19-17-16-15(10-9-13-5-2-1-3-6-13)21-18(14-7-4-8-14)22(16)12-11-20-17/h1-3,5-6,9-12,14H,4,7-8H2,(H2,19,20)
InChIKeyXDDIHGHVKYVULN-UHFFFAOYSA-N
XLogP3.75
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine (CID 68711191) is 3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(C=Cc3ccccc3)c12.
What is the InChIKey of 3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is XDDIHGHVKYVULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c19-17-16-15(10-9-13-5-2-1-3-6-13)21-18(14-7-4-8-14)22(16)12-11-20-17/h1-3,5-6,9-12,14H,4,7-8H2,(H2,19,20).
What are the key properties of 3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 290.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 68711191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).