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

C10H13N5O2 — CID 6459834

IUPAC2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESCc1cc(=O)n2[nH]c(NC(=O)C(C)C)nc2n1
InChIInChI=1S/C10H13N5O2/c1-5(2)8(17)12-9-13-10-11-6(3)4-7(16)15(10)14-9/h4-5H,1-3H3,(H2,11,12,13,14,17)
InChIKeyINEPQJUHGMAAHL-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.32
Rot. Bonds2

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

2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (PubChem CID 6459834) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
PubChem CID6459834
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESCc1cc(=O)n2[nH]c(NC(=O)C(C)C)nc2n1
InChIInChI=1S/C10H13N5O2/c1-5(2)8(17)12-9-13-10-11-6(3)4-7(16)15(10)14-9/h4-5H,1-3H3,(H2,11,12,13,14,17)
InChIKeyINEPQJUHGMAAHL-UHFFFAOYSA-N
XLogP0.32
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (CID 6459834) is 2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide is Cc1cc(=O)n2[nH]c(NC(=O)C(C)C)nc2n1.
What is the InChIKey of 2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The InChIKey is INEPQJUHGMAAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-5(2)8(17)12-9-13-10-11-6(3)4-7(16)15(10)14-9/h4-5H,1-3H3,(H2,11,12,13,14,17).
What are the key properties of 2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide has a molecular weight of 235.25 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide is sourced from PubChem (CID 6459834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).