4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine

C13H19F3N4 — CID 81251194

IUPAC4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
SMILESNC1CCC(c2nnc3n2CC(C(F)(F)F)CC3)CC1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)9-3-6-11-18-19-12(20(11)7-9)8-1-4-10(17)5-2-8/h8-10H,1-7,17H2
InChIKeyCJVIDFLARICBHO-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.39
Rot. Bonds1

About 4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine

4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine (PubChem CID 81251194) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
PubChem CID81251194
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
SMILESNC1CCC(c2nnc3n2CC(C(F)(F)F)CC3)CC1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)9-3-6-11-18-19-12(20(11)7-9)8-1-4-10(17)5-2-8/h8-10H,1-7,17H2
InChIKeyCJVIDFLARICBHO-UHFFFAOYSA-N
XLogP2.39
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine?
The IUPAC name of 4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine (CID 81251194) is 4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine is NC1CCC(c2nnc3n2CC(C(F)(F)F)CC3)CC1.
What is the InChIKey of 4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine?
The InChIKey is CJVIDFLARICBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c14-13(15,16)9-3-6-11-18-19-12(20(11)7-9)8-1-4-10(17)5-2-8/h8-10H,1-7,17H2.
What are the key properties of 4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine?
4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine has a molecular weight of 288.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 81251194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).