N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C19H19F3N4 — CID 25190443

IUPACN-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESFC(F)(F)c1cccc(-c2nnc3ccc(NC4CCCCC4)cn23)c1
InChIInChI=1S/C19H19F3N4/c20-19(21,22)14-6-4-5-13(11-14)18-25-24-17-10-9-16(12-26(17)18)23-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2
InChIKeyDEAKLAODOGHDJO-UHFFFAOYSA-N
MW360.38 g/mol
LogP5.16
Rot. Bonds3

About N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine

N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 25190443) has the molecular formula C19H19F3N4 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID25190443
Molecular FormulaC19H19F3N4
Molecular Weight360.38 g/mol
Exact Mass360.16
IUPAC NameN-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESFC(F)(F)c1cccc(-c2nnc3ccc(NC4CCCCC4)cn23)c1
InChIInChI=1S/C19H19F3N4/c20-19(21,22)14-6-4-5-13(11-14)18-25-24-17-10-9-16(12-26(17)18)23-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2
InChIKeyDEAKLAODOGHDJO-UHFFFAOYSA-N
XLogP5.16
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.38
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 25190443) is N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine is FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCCCC4)cn23)c1.
What is the InChIKey of N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is DEAKLAODOGHDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4/c20-19(21,22)14-6-4-5-13(11-14)18-25-24-17-10-9-16(12-26(17)18)23-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2.
What are the key properties of N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 360.38 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 25190443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).