3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine

C12H14F2N4 — CID 166306445

IUPAC3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)(C)c1nc(C=C(F)F)c2c(N)nccn12
InChIInChI=1S/C12H14F2N4/c1-12(2,3)11-17-7(6-8(13)14)9-10(15)16-4-5-18(9)11/h4-6H,1-3H3,(H2,15,16)
InChIKeyZXSTTYZCEOZVMS-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.85
Rot. Bonds1

About 3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine

3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 166306445) has the molecular formula C12H14F2N4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID166306445
Molecular FormulaC12H14F2N4
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)(C)c1nc(C=C(F)F)c2c(N)nccn12
InChIInChI=1S/C12H14F2N4/c1-12(2,3)11-17-7(6-8(13)14)9-10(15)16-4-5-18(9)11/h4-6H,1-3H3,(H2,15,16)
InChIKeyZXSTTYZCEOZVMS-UHFFFAOYSA-N
XLogP2.85
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine (CID 166306445) is 3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine is CC(C)(C)c1nc(C=C(F)F)c2c(N)nccn12.
What is the InChIKey of 3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is ZXSTTYZCEOZVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4/c1-12(2,3)11-17-7(6-8(13)14)9-10(15)16-4-5-18(9)11/h4-6H,1-3H3,(H2,15,16).
What are the key properties of 3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine?
3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 252.27 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2,2-difluoroethenyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 166306445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).