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

C11H15N5O2 — CID 135519751

IUPACN-(5-oxo-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
SMILESCCC(=O)Nc1cc(=O)[nH]c2nc(C(C)C)nn12
InChIInChI=1S/C11H15N5O2/c1-4-8(17)12-7-5-9(18)13-11-14-10(6(2)3)15-16(7)11/h5-6H,4H2,1-3H3,(H,12,17)(H,13,14,15,18)
InChIKeyMSYNEKQNZQLGIJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.89
Rot. Bonds3

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

N-(5-oxo-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide (PubChem CID 135519751) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(5-oxo-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide.

Molecular Properties

Compound NameN-(5-oxo-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
PubChem CID135519751
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-(5-oxo-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
SMILESCCC(=O)Nc1cc(=O)[nH]c2nc(C(C)C)nn12
InChIInChI=1S/C11H15N5O2/c1-4-8(17)12-7-5-9(18)13-11-14-10(6(2)3)15-16(7)11/h5-6H,4H2,1-3H3,(H,12,17)(H,13,14,15,18)
InChIKeyMSYNEKQNZQLGIJ-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
The IUPAC name of N-(5-oxo-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide (CID 135519751) is N-(5-oxo-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide.
What is the SMILES notation for N-(5-oxo-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
The canonical SMILES for N-(5-oxo-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide is CCC(=O)Nc1cc(=O)[nH]c2nc(C(C)C)nn12.
What is the InChIKey of N-(5-oxo-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
The InChIKey is MSYNEKQNZQLGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-4-8(17)12-7-5-9(18)13-11-14-10(6(2)3)15-16(7)11/h5-6H,4H2,1-3H3,(H,12,17)(H,13,14,15,18).
What are the key properties of N-(5-oxo-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide?
N-(5-oxo-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide has a molecular weight of 249.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide is sourced from PubChem (CID 135519751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).