N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide

C13H21N5O2 — CID 102656641

IUPACN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCCc1nnc(NC(=O)COC2(C)CNC2)nc1CC
InChIInChI=1S/C13H21N5O2/c1-4-9-10(5-2)17-18-12(15-9)16-11(19)6-20-13(3)7-14-8-13/h14H,4-8H2,1-3H3,(H,15,16,18,19)
InChIKeyWAUYNJMBMAZEIZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.31
Rot. Bonds6

About N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide

N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102656641) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102656641
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCCc1nnc(NC(=O)COC2(C)CNC2)nc1CC
InChIInChI=1S/C13H21N5O2/c1-4-9-10(5-2)17-18-12(15-9)16-11(19)6-20-13(3)7-14-8-13/h14H,4-8H2,1-3H3,(H,15,16,18,19)
InChIKeyWAUYNJMBMAZEIZ-UHFFFAOYSA-N
XLogP0.31
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102656641) is N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide is CCc1nnc(NC(=O)COC2(C)CNC2)nc1CC.
What is the InChIKey of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is WAUYNJMBMAZEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-9-10(5-2)17-18-12(15-9)16-11(19)6-20-13(3)7-14-8-13/h14H,4-8H2,1-3H3,(H,15,16,18,19).
What are the key properties of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 279.34 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102656641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).