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

C11H15N5O2 — CID 135465164

IUPACN-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methylpropanamide
SMILESCCc1nc2[nH]c(=O)cc(NC(=O)C(C)C)n2n1
InChIInChI=1S/C11H15N5O2/c1-4-7-12-11-14-9(17)5-8(16(11)15-7)13-10(18)6(2)3/h5-6H,4H2,1-3H3,(H,13,18)(H,12,14,15,17)
InChIKeyNNKLVXGEWWTITD-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.57
Rot. Bonds3

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

N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methylpropanamide (PubChem CID 135465164) 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)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methylpropanamide
PubChem CID135465164
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)-2-methylpropanamide
SMILESCCc1nc2[nH]c(=O)cc(NC(=O)C(C)C)n2n1
InChIInChI=1S/C11H15N5O2/c1-4-7-12-11-14-9(17)5-8(16(11)15-7)13-10(18)6(2)3/h5-6H,4H2,1-3H3,(H,13,18)(H,12,14,15,17)
InChIKeyNNKLVXGEWWTITD-UHFFFAOYSA-N
XLogP0.57
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.57
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)-2-methylpropanamide?
The IUPAC name of N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methylpropanamide (CID 135465164) is N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methylpropanamide?
The canonical SMILES for N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methylpropanamide is CCc1nc2[nH]c(=O)cc(NC(=O)C(C)C)n2n1.
What is the InChIKey of N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methylpropanamide?
The InChIKey is NNKLVXGEWWTITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-4-7-12-11-14-9(17)5-8(16(11)15-7)13-10(18)6(2)3/h5-6H,4H2,1-3H3,(H,13,18)(H,12,14,15,17).
What are the key properties of N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methylpropanamide?
N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methylpropanamide has a molecular weight of 249.27 g/mol, XLogP of 0.57, 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)-2-methylpropanamide is sourced from PubChem (CID 135465164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).