N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C13H19F3N4O2 — CID 86772504

IUPACN-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)c1nnc2n1CC(NC(=O)COCC(F)(F)F)CC2
InChIInChI=1S/C13H19F3N4O2/c1-8(2)12-19-18-10-4-3-9(5-20(10)12)17-11(21)6-22-7-13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,21)
InChIKeyFTFFAIQATYUYHD-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.41
Rot. Bonds5

About N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86772504) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86772504
Molecular FormulaC13H19F3N4O2
Molecular Weight320.32 g/mol
Exact Mass320.15
IUPAC NameN-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)c1nnc2n1CC(NC(=O)COCC(F)(F)F)CC2
InChIInChI=1S/C13H19F3N4O2/c1-8(2)12-19-18-10-4-3-9(5-20(10)12)17-11(21)6-22-7-13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,21)
InChIKeyFTFFAIQATYUYHD-UHFFFAOYSA-N
XLogP1.41
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86772504) is N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)c1nnc2n1CC(NC(=O)COCC(F)(F)F)CC2.
What is the InChIKey of N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is FTFFAIQATYUYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-8(2)12-19-18-10-4-3-9(5-20(10)12)17-11(21)6-22-7-13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,21).
What are the key properties of N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 320.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86772504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).