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

C14H21F3N4 — CID 81255396

IUPACcyclohexyl-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
SMILESNC(c1nnc2n1CC(C(F)(F)F)CC2)C1CCCCC1
InChIInChI=1S/C14H21F3N4/c15-14(16,17)10-6-7-11-19-20-13(21(11)8-10)12(18)9-4-2-1-3-5-9/h9-10,12H,1-8,18H2
InChIKeyPQZLJMMLNDJBHE-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.98
Rot. Bonds2

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

cyclohexyl-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine (PubChem CID 81255396) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is cyclohexyl-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Namecyclohexyl-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
PubChem CID81255396
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Namecyclohexyl-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
SMILESNC(c1nnc2n1CC(C(F)(F)F)CC2)C1CCCCC1
InChIInChI=1S/C14H21F3N4/c15-14(16,17)10-6-7-11-19-20-13(21(11)8-10)12(18)9-4-2-1-3-5-9/h9-10,12H,1-8,18H2
InChIKeyPQZLJMMLNDJBHE-UHFFFAOYSA-N
XLogP2.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine?
The IUPAC name of cyclohexyl-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine (CID 81255396) is cyclohexyl-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine.
What is the SMILES notation for cyclohexyl-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine?
The canonical SMILES for cyclohexyl-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine is NC(c1nnc2n1CC(C(F)(F)F)CC2)C1CCCCC1.
What is the InChIKey of cyclohexyl-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine?
The InChIKey is PQZLJMMLNDJBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c15-14(16,17)10-6-7-11-19-20-13(21(11)8-10)12(18)9-4-2-1-3-5-9/h9-10,12H,1-8,18H2.
What are the key properties of cyclohexyl-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine?
cyclohexyl-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine has a molecular weight of 302.34 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 81255396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).