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

C13H19F3N4O — CID 81235164

IUPACN-ethyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine
SMILESCCNC1COCC1c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C13H19F3N4O/c1-2-17-10-7-21-6-9(10)12-19-18-11-4-3-8(5-20(11)12)13(14,15)16/h8-10,17H,2-7H2,1H3
InChIKeyVZUXTKILUNGPNL-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.49
Rot. Bonds3

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

N-ethyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine (PubChem CID 81235164) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-ethyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine
PubChem CID81235164
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-ethyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine
SMILESCCNC1COCC1c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C13H19F3N4O/c1-2-17-10-7-21-6-9(10)12-19-18-11-4-3-8(5-20(11)12)13(14,15)16/h8-10,17H,2-7H2,1H3
InChIKeyVZUXTKILUNGPNL-UHFFFAOYSA-N
XLogP1.49
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine?
The IUPAC name of N-ethyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine (CID 81235164) is N-ethyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine?
The canonical SMILES for N-ethyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine is CCNC1COCC1c1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of N-ethyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine?
The InChIKey is VZUXTKILUNGPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-17-10-7-21-6-9(10)12-19-18-11-4-3-8(5-20(11)12)13(14,15)16/h8-10,17H,2-7H2,1H3.
What are the key properties of N-ethyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine?
N-ethyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine has a molecular weight of 304.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine is sourced from PubChem (CID 81235164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).