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

C11H15F3N4O2 — CID 86772319

IUPACN-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1nnc2n1CC(NC(=O)COCC(F)(F)F)CC2
InChIInChI=1S/C11H15F3N4O2/c1-7-16-17-9-3-2-8(4-18(7)9)15-10(19)5-20-6-11(12,13)14/h8H,2-6H2,1H3,(H,15,19)
InChIKeyPQWCVLAESKBJCH-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.60
Rot. Bonds4

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

N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86772319) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(3-methyl-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-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86772319
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC NameN-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1nnc2n1CC(NC(=O)COCC(F)(F)F)CC2
InChIInChI=1S/C11H15F3N4O2/c1-7-16-17-9-3-2-8(4-18(7)9)15-10(19)5-20-6-11(12,13)14/h8H,2-6H2,1H3,(H,15,19)
InChIKeyPQWCVLAESKBJCH-UHFFFAOYSA-N
XLogP0.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-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-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86772319) is N-(3-methyl-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-methyl-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-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide is Cc1nnc2n1CC(NC(=O)COCC(F)(F)F)CC2.
What is the InChIKey of N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is PQWCVLAESKBJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-7-16-17-9-3-2-8(4-18(7)9)15-10(19)5-20-6-11(12,13)14/h8H,2-6H2,1H3,(H,15,19).
What are the key properties of N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(3-methyl-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 292.26 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-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 86772319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).