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

C13H20F3N5 — CID 64577540

IUPAC3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine
SMILESNC1CCCC(CN2CCn3c(nnc3C(F)(F)F)C2)C1
InChIInChI=1S/C13H20F3N5/c14-13(15,16)12-19-18-11-8-20(4-5-21(11)12)7-9-2-1-3-10(17)6-9/h9-10H,1-8,17H2
InChIKeyRUDCTGVBDKBJIS-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.63
Rot. Bonds2

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

3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine (PubChem CID 64577540) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine
PubChem CID64577540
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine
SMILESNC1CCCC(CN2CCn3c(nnc3C(F)(F)F)C2)C1
InChIInChI=1S/C13H20F3N5/c14-13(15,16)12-19-18-11-8-20(4-5-21(11)12)7-9-2-1-3-10(17)6-9/h9-10H,1-8,17H2
InChIKeyRUDCTGVBDKBJIS-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 3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine (CID 64577540) is 3-[[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 3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine is NC1CCCC(CN2CCn3c(nnc3C(F)(F)F)C2)C1.
What is the InChIKey of 3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine?
The InChIKey is RUDCTGVBDKBJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c14-13(15,16)12-19-18-11-8-20(4-5-21(11)12)7-9-2-1-3-10(17)6-9/h9-10H,1-8,17H2.
What are the key properties of 3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclohexan-1-amine?
3-[[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 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[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 64577540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).