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

C11H15N5O2 — CID 22160344

IUPACN-ethyl-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanamide
SMILESCCNC(=O)C(C)c1cc(=O)n2[nH]c(C)nc2n1
InChIInChI=1S/C11H15N5O2/c1-4-12-10(18)6(2)8-5-9(17)16-11(14-8)13-7(3)15-16/h5-6H,4H2,1-3H3,(H,12,18)(H,13,14,15)
InChIKeyDFSLFJWRYHUNGM-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.03
Rot. Bonds3

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

N-ethyl-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanamide (PubChem CID 22160344) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-ethyl-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanamide
PubChem CID22160344
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-ethyl-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanamide
SMILESCCNC(=O)C(C)c1cc(=O)n2[nH]c(C)nc2n1
InChIInChI=1S/C11H15N5O2/c1-4-12-10(18)6(2)8-5-9(17)16-11(14-8)13-7(3)15-16/h5-6H,4H2,1-3H3,(H,12,18)(H,13,14,15)
InChIKeyDFSLFJWRYHUNGM-UHFFFAOYSA-N
XLogP-0.03
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 ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanamide?
The IUPAC name of N-ethyl-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanamide (CID 22160344) is N-ethyl-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-ethyl-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanamide?
The canonical SMILES for N-ethyl-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanamide is CCNC(=O)C(C)c1cc(=O)n2[nH]c(C)nc2n1.
What is the InChIKey of N-ethyl-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanamide?
The InChIKey is DFSLFJWRYHUNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-4-12-10(18)6(2)8-5-9(17)16-11(14-8)13-7(3)15-16/h5-6H,4H2,1-3H3,(H,12,18)(H,13,14,15).
What are the key properties of N-ethyl-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanamide?
N-ethyl-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanamide has a molecular weight of 249.27 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanamide is sourced from PubChem (CID 22160344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).