8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H15F3N4 — CID 70655230

IUPAC8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2c(C3CCC(C(F)(F)F)CC3)cccn2n1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)9-5-3-8(4-6-9)10-2-1-7-20-11(10)18-12(17)19-20/h1-2,7-9H,3-6H2,(H2,17,19)
InChIKeyZXEYJWYLUNTIAE-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.15
Rot. Bonds1

About 8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 70655230) has the molecular formula C13H15F3N4 and a molecular weight of 284.28 g/mol. Its IUPAC name is 8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID70655230
Molecular FormulaC13H15F3N4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Name8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2c(C3CCC(C(F)(F)F)CC3)cccn2n1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)9-5-3-8(4-6-9)10-2-1-7-20-11(10)18-12(17)19-20/h1-2,7-9H,3-6H2,(H2,17,19)
InChIKeyZXEYJWYLUNTIAE-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 70655230) is 8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2c(C3CCC(C(F)(F)F)CC3)cccn2n1.
What is the InChIKey of 8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is ZXEYJWYLUNTIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c14-13(15,16)9-5-3-8(4-6-9)10-2-1-7-20-11(10)18-12(17)19-20/h1-2,7-9H,3-6H2,(H2,17,19).
What are the key properties of 8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 284.28 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 70655230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).