N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butanamide

C11H15N5O2 — CID 135456299

IUPACN-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butanamide
SMILESCCCC(=O)Nc1cc(=O)[nH]c2nc(CC)nn12
InChIInChI=1S/C11H15N5O2/c1-3-5-9(17)13-8-6-10(18)14-11-12-7(4-2)15-16(8)11/h6H,3-5H2,1-2H3,(H,13,17)(H,12,14,15,18)
InChIKeyQJWNIXCOWDBBCK-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.72
Rot. Bonds4

About N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butanamide

N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butanamide (PubChem CID 135456299) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butanamide.

Molecular Properties

Compound NameN-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butanamide
PubChem CID135456299
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butanamide
SMILESCCCC(=O)Nc1cc(=O)[nH]c2nc(CC)nn12
InChIInChI=1S/C11H15N5O2/c1-3-5-9(17)13-8-6-10(18)14-11-12-7(4-2)15-16(8)11/h6H,3-5H2,1-2H3,(H,13,17)(H,12,14,15,18)
InChIKeyQJWNIXCOWDBBCK-UHFFFAOYSA-N
XLogP0.72
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butanamide?
The IUPAC name of N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butanamide (CID 135456299) is N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butanamide.
What is the SMILES notation for N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butanamide?
The canonical SMILES for N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butanamide is CCCC(=O)Nc1cc(=O)[nH]c2nc(CC)nn12.
What is the InChIKey of N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butanamide?
The InChIKey is QJWNIXCOWDBBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-5-9(17)13-8-6-10(18)14-11-12-7(4-2)15-16(8)11/h6H,3-5H2,1-2H3,(H,13,17)(H,12,14,15,18).
What are the key properties of N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butanamide?
N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butanamide has a molecular weight of 249.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butanamide is sourced from PubChem (CID 135456299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).