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

C13H19F3N4 — CID 70328545

IUPAC3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexan-1-amine
SMILESNC1CCCC(N2CCn3cc(C(F)(F)F)nc3C2)C1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)11-7-20-5-4-19(8-12(20)18-11)10-3-1-2-9(17)6-10/h7,9-10H,1-6,8,17H2
InChIKeyBFVCQPYOJNAVIM-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.99
Rot. Bonds1

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

3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexan-1-amine (PubChem CID 70328545) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexan-1-amine
PubChem CID70328545
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexan-1-amine
SMILESNC1CCCC(N2CCn3cc(C(F)(F)F)nc3C2)C1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)11-7-20-5-4-19(8-12(20)18-11)10-3-1-2-9(17)6-10/h7,9-10H,1-6,8,17H2
InChIKeyBFVCQPYOJNAVIM-UHFFFAOYSA-N
XLogP1.99
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexan-1-amine?
The IUPAC name of 3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexan-1-amine (CID 70328545) is 3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexan-1-amine?
The canonical SMILES for 3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexan-1-amine is NC1CCCC(N2CCn3cc(C(F)(F)F)nc3C2)C1.
What is the InChIKey of 3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexan-1-amine?
The InChIKey is BFVCQPYOJNAVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c14-13(15,16)11-7-20-5-4-19(8-12(20)18-11)10-3-1-2-9(17)6-10/h7,9-10H,1-6,8,17H2.
What are the key properties of 3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexan-1-amine?
3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexan-1-amine has a molecular weight of 288.32 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexan-1-amine is sourced from PubChem (CID 70328545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).