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

C13H19F3N4 — CID 81250202

IUPAC2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
SMILESNC1CCCCC1c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C13H19F3N4/c14-13(15,16)8-5-6-11-18-19-12(20(11)7-8)9-3-1-2-4-10(9)17/h8-10H,1-7,17H2
InChIKeyRQLBCHNIYRSQQF-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.39
Rot. Bonds1

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

2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine (PubChem CID 81250202) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
PubChem CID81250202
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
SMILESNC1CCCCC1c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C13H19F3N4/c14-13(15,16)8-5-6-11-18-19-12(20(11)7-8)9-3-1-2-4-10(9)17/h8-10H,1-7,17H2
InChIKeyRQLBCHNIYRSQQF-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

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

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Related Compounds

1-cyclopentyl-N-[(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]methanamine
CID 53613793
3-(2-cyclohexylethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 136196502
7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 134793426
[3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 71757723
[8-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
CID 73994629
CID 155822469
CID 155822469
[6-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
CID 71756351
2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 121515910
trans-(1S,2S)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 137992724
3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexan-1-amine
CID 70328540
[3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 83866403
cis-(1R,3S)-3-[7-methoxy-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
CID 169842010

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine?
The IUPAC name of 2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine (CID 81250202) is 2-[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 2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine?
The canonical SMILES for 2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine is NC1CCCCC1c1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of 2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine?
The InChIKey is RQLBCHNIYRSQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c14-13(15,16)8-5-6-11-18-19-12(20(11)7-8)9-3-1-2-4-10(9)17/h8-10H,1-7,17H2.
What are the key properties of 2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine?
2-[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 2-[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 81250202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).