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

C13H20F3N5 — CID 64574748

IUPAC[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine
SMILESNCC1CCCCC1N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C13H20F3N5/c14-13(15,16)12-19-18-11-8-20(5-6-21(11)12)10-4-2-1-3-9(10)7-17/h9-10H,1-8,17H2
InChIKeyXZHIEIPXFLGDMD-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.63
Rot. Bonds2

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

[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine (PubChem CID 64574748) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine
PubChem CID64574748
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine
SMILESNCC1CCCCC1N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C13H20F3N5/c14-13(15,16)12-19-18-11-8-20(5-6-21(11)12)10-4-2-1-3-9(10)7-17/h9-10H,1-8,17H2
InChIKeyXZHIEIPXFLGDMD-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine?
The IUPAC name of [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine (CID 64574748) is [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine?
The canonical SMILES for [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine is NCC1CCCCC1N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine?
The InChIKey is XZHIEIPXFLGDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c14-13(15,16)12-19-18-11-8-20(5-6-21(11)12)10-4-2-1-3-9(10)7-17/h9-10H,1-8,17H2.
What are the key properties of [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine?
[2-[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 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine is sourced from PubChem (CID 64574748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).