2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H10F3N5 — CID 78966195

IUPAC2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCn2ccnc2C1
InChIInChI=1S/C13H10F3N5/c14-13(15,16)10-2-1-9(7-17)12(19-10)21-6-5-20-4-3-18-11(20)8-21/h1-4H,5-6,8H2
InChIKeyWLPMIDXRBDTMFS-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.19
Rot. Bonds1

About 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78966195) has the molecular formula C13H10F3N5 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78966195
Molecular FormulaC13H10F3N5
Molecular Weight293.25 g/mol
Exact Mass293.09
IUPAC Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCn2ccnc2C1
InChIInChI=1S/C13H10F3N5/c14-13(15,16)10-2-1-9(7-17)12(19-10)21-6-5-20-4-3-18-11(20)8-21/h1-4H,5-6,8H2
InChIKeyWLPMIDXRBDTMFS-UHFFFAOYSA-N
XLogP2.19
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78966195) is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1N1CCn2ccnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is WLPMIDXRBDTMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5/c14-13(15,16)10-2-1-9(7-17)12(19-10)21-6-5-20-4-3-18-11(20)8-21/h1-4H,5-6,8H2.
What are the key properties of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 293.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78966195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).