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

C13H20F3N5 — CID 64575133

IUPAC[1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine
SMILESNCC1(N2CCn3c(nnc3C(F)(F)F)C2)CCCCC1
InChIInChI=1S/C13H20F3N5/c14-13(15,16)11-19-18-10-8-20(6-7-21(10)11)12(9-17)4-2-1-3-5-12/h1-9,17H2
InChIKeyPDAVBHQBIFQWKV-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]cyclohexyl]methanamine

[1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine (PubChem CID 64575133) 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]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine
PubChem CID64575133
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name[1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine
SMILESNCC1(N2CCn3c(nnc3C(F)(F)F)C2)CCCCC1
InChIInChI=1S/C13H20F3N5/c14-13(15,16)11-19-18-10-8-20(6-7-21(10)11)12(9-17)4-2-1-3-5-12/h1-9,17H2
InChIKeyPDAVBHQBIFQWKV-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]cyclohexyl]methanamine?
The IUPAC name of [1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine (CID 64575133) is [1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine?
The canonical SMILES for [1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine is NCC1(N2CCn3c(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]cyclohexyl]methanamine?
The InChIKey is PDAVBHQBIFQWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c14-13(15,16)11-19-18-10-8-20(6-7-21(10)11)12(9-17)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]cyclohexyl]methanamine?
[1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine 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]cyclohexyl]methanamine is sourced from PubChem (CID 64575133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).