1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine

C13H20F3N5 — CID 64575250

IUPAC1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine
SMILESNC1(CN2CCn3c(nnc3C(F)(F)F)C2)CCCCC1
InChIInChI=1S/C13H20F3N5/c14-13(15,16)11-19-18-10-8-20(6-7-21(10)11)9-12(17)4-2-1-3-5-12/h1-9,17H2
InChIKeyUQUHEVCPVZNPFS-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.77
Rot. Bonds2

About 1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine

1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine (PubChem CID 64575250) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine
PubChem CID64575250
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine
SMILESNC1(CN2CCn3c(nnc3C(F)(F)F)C2)CCCCC1
InChIInChI=1S/C13H20F3N5/c14-13(15,16)11-19-18-10-8-20(6-7-21(10)11)9-12(17)4-2-1-3-5-12/h1-9,17H2
InChIKeyUQUHEVCPVZNPFS-UHFFFAOYSA-N
XLogP1.77
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine (CID 64575250) is 1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine is NC1(CN2CCn3c(nnc3C(F)(F)F)C2)CCCCC1.
What is the InChIKey of 1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine?
The InChIKey is UQUHEVCPVZNPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c14-13(15,16)11-19-18-10-8-20(6-7-21(10)11)9-12(17)4-2-1-3-5-12/h1-9,17H2.
What are the key properties of 1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine?
1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine has a molecular weight of 303.33 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 64575250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).