2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide

C12H19N5O — CID 114387609

IUPAC2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide
SMILESCCc1nnc(NC(=O)CC2CNC2)nc1CC
InChIInChI=1S/C12H19N5O/c1-3-9-10(4-2)16-17-12(14-9)15-11(18)5-8-6-13-7-8/h8,13H,3-7H2,1-2H3,(H,14,15,17,18)
InChIKeyYSTCNUUYXAIJDW-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.54
Rot. Bonds5

About 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide

2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide (PubChem CID 114387609) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide
PubChem CID114387609
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide
SMILESCCc1nnc(NC(=O)CC2CNC2)nc1CC
InChIInChI=1S/C12H19N5O/c1-3-9-10(4-2)16-17-12(14-9)15-11(18)5-8-6-13-7-8/h8,13H,3-7H2,1-2H3,(H,14,15,17,18)
InChIKeyYSTCNUUYXAIJDW-UHFFFAOYSA-N
XLogP0.54
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide (CID 114387609) is 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide is CCc1nnc(NC(=O)CC2CNC2)nc1CC.
What is the InChIKey of 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide?
The InChIKey is YSTCNUUYXAIJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-9-10(4-2)16-17-12(14-9)15-11(18)5-8-6-13-7-8/h8,13H,3-7H2,1-2H3,(H,14,15,17,18).
What are the key properties of 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide?
2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide has a molecular weight of 249.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide is sourced from PubChem (CID 114387609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).