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

C10H13N5O2 — CID 135400051

IUPACN-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
SMILESCCC(=O)Nc1cc(=O)[nH]c2nc(CC)nn12
InChIInChI=1S/C10H13N5O2/c1-3-6-11-10-13-9(17)5-7(15(10)14-6)12-8(16)4-2/h5H,3-4H2,1-2H3,(H,12,16)(H,11,13,14,17)
InChIKeyHJQALIBAXQKXHK-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.33
Rot. Bonds3

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

N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide (PubChem CID 135400051) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
PubChem CID135400051
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
SMILESCCC(=O)Nc1cc(=O)[nH]c2nc(CC)nn12
InChIInChI=1S/C10H13N5O2/c1-3-6-11-10-13-9(17)5-7(15(10)14-6)12-8(16)4-2/h5H,3-4H2,1-2H3,(H,12,16)(H,11,13,14,17)
InChIKeyHJQALIBAXQKXHK-UHFFFAOYSA-N
XLogP0.33
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.33
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)propanamide?
The IUPAC name of N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide (CID 135400051) is N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide.
What is the SMILES notation for N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
The canonical SMILES for N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide is CCC(=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)propanamide?
The InChIKey is HJQALIBAXQKXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-3-6-11-10-13-9(17)5-7(15(10)14-6)12-8(16)4-2/h5H,3-4H2,1-2H3,(H,12,16)(H,11,13,14,17).
What are the key properties of N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide has a molecular weight of 235.25 g/mol, XLogP of 0.33, 3 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)propanamide is sourced from PubChem (CID 135400051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).