6-(7,7,7-trifluoro-2,4-dimethylheptyl)imidazo[1,2-a]pyrazine

C15H20F3N3 — CID 174732357

IUPAC6-(7,7,7-trifluoro-2,4-dimethylheptyl)imidazo[1,2-a]pyrazine
SMILESCC(CCC(F)(F)F)CC(C)Cc1cn2ccnc2cn1
InChIInChI=1S/C15H20F3N3/c1-11(3-4-15(16,17)18)7-12(2)8-13-10-21-6-5-19-14(21)9-20-13/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyPAHKHLAYRCBNLN-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.28
Rot. Bonds6

About 6-(7,7,7-trifluoro-2,4-dimethylheptyl)imidazo[1,2-a]pyrazine

6-(7,7,7-trifluoro-2,4-dimethylheptyl)imidazo[1,2-a]pyrazine (PubChem CID 174732357) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 6-(7,7,7-trifluoro-2,4-dimethylheptyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(7,7,7-trifluoro-2,4-dimethylheptyl)imidazo[1,2-a]pyrazine
PubChem CID174732357
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name6-(7,7,7-trifluoro-2,4-dimethylheptyl)imidazo[1,2-a]pyrazine
SMILESCC(CCC(F)(F)F)CC(C)Cc1cn2ccnc2cn1
InChIInChI=1S/C15H20F3N3/c1-11(3-4-15(16,17)18)7-12(2)8-13-10-21-6-5-19-14(21)9-20-13/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyPAHKHLAYRCBNLN-UHFFFAOYSA-N
XLogP4.28
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(7,7,7-trifluoro-2,4-dimethylheptyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(7,7,7-trifluoro-2,4-dimethylheptyl)imidazo[1,2-a]pyrazine (CID 174732357) is 6-(7,7,7-trifluoro-2,4-dimethylheptyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(7,7,7-trifluoro-2,4-dimethylheptyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(7,7,7-trifluoro-2,4-dimethylheptyl)imidazo[1,2-a]pyrazine is CC(CCC(F)(F)F)CC(C)Cc1cn2ccnc2cn1.
What is the InChIKey of 6-(7,7,7-trifluoro-2,4-dimethylheptyl)imidazo[1,2-a]pyrazine?
The InChIKey is PAHKHLAYRCBNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-11(3-4-15(16,17)18)7-12(2)8-13-10-21-6-5-19-14(21)9-20-13/h5-6,9-12H,3-4,7-8H2,1-2H3.
What are the key properties of 6-(7,7,7-trifluoro-2,4-dimethylheptyl)imidazo[1,2-a]pyrazine?
6-(7,7,7-trifluoro-2,4-dimethylheptyl)imidazo[1,2-a]pyrazine has a molecular weight of 299.34 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7,7,7-trifluoro-2,4-dimethylheptyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 174732357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).