cis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine

C13H15F3N4 — CID 168894014

IUPACcis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
SMILESN[C@@H]1CCC[C@H](c2nnc3c(C(F)(F)F)cccn23)C1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)10-5-2-6-20-11(18-19-12(10)20)8-3-1-4-9(17)7-8/h2,5-6,8-9H,1,3-4,7,17H2/t8-,9+/m0/s1
InChIKeyXCQSDRUHUIBYDX-DTWKUNHWSA-N
MW284.28 g/mol
LogP2.73
Rot. Bonds1

About cis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine

cis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine (PubChem CID 168894014) has the molecular formula C13H15F3N4 and a molecular weight of 284.28 g/mol. Its IUPAC name is cis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
PubChem CID168894014
Molecular FormulaC13H15F3N4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Namecis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
SMILESN[C@@H]1CCC[C@H](c2nnc3c(C(F)(F)F)cccn23)C1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)10-5-2-6-20-11(18-19-12(10)20)8-3-1-4-9(17)7-8/h2,5-6,8-9H,1,3-4,7,17H2/t8-,9+/m0/s1
InChIKeyXCQSDRUHUIBYDX-DTWKUNHWSA-N
XLogP2.73
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine with MolForge

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Related Compounds

(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
CID 175891290
8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine
CID 15754782
3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
CID 65348038
cis-(1R,3S)-3-[7-(difluoromethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
CID 168894166
3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 64502717
3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine
CID 81455528
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine
CID 63044408
(2,2-diphenylcyclopropyl)-[2-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 44764633
3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 103852553
4-cyclopropyl-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 168894147
3-[(1S,3R)-3-aminocyclohexyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide
CID 175891099
2-[[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]amino]-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 168894168

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine (CID 168894014) is cis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine is N[C@@H]1CCC[C@H](c2nnc3c(C(F)(F)F)cccn23)C1.
What is the InChIKey of cis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine?
The InChIKey is XCQSDRUHUIBYDX-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H15F3N4/c14-13(15,16)10-5-2-6-20-11(18-19-12(10)20)8-3-1-4-9(17)7-8/h2,5-6,8-9H,1,3-4,7,17H2/t8-,9+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine?
cis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine has a molecular weight of 284.28 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 168894014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).