7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C13H20F3N3 — CID 67977969

IUPAC7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC(C)(C)CCN1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C13H20F3N3/c1-12(2,3)4-5-18-6-7-19-8-10(13(14,15)16)17-11(19)9-18/h8H,4-7,9H2,1-3H3
InChIKeyCKRKJOAPKRRADW-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.15
Rot. Bonds2

About 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 67977969) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID67977969
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC(C)(C)CCN1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C13H20F3N3/c1-12(2,3)4-5-18-6-7-19-8-10(13(14,15)16)17-11(19)9-18/h8H,4-7,9H2,1-3H3
InChIKeyCKRKJOAPKRRADW-UHFFFAOYSA-N
XLogP3.15
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 67977969) is 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CC(C)(C)CCN1CCn2cc(C(F)(F)F)nc2C1.
What is the InChIKey of 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is CKRKJOAPKRRADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-12(2,3)4-5-18-6-7-19-8-10(13(14,15)16)17-11(19)9-18/h8H,4-7,9H2,1-3H3.
What are the key properties of 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 275.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 67977969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).