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

C8H9N5O2 — CID 930380

IUPACN-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C8H9N5O2/c1-4-3-6(15)13-8(9-4)11-7(12-13)10-5(2)14/h3H,1-2H3,(H2,9,10,11,12,14)
InChIKeyABHPZKGJIKLFDB-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.32
Rot. Bonds1

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

N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 930380) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID930380
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC NameN-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C8H9N5O2/c1-4-3-6(15)13-8(9-4)11-7(12-13)10-5(2)14/h3H,1-2H3,(H2,9,10,11,12,14)
InChIKeyABHPZKGJIKLFDB-UHFFFAOYSA-N
XLogP-0.32
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 930380) is N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CC(=O)Nc1nc2nc(C)cc(=O)n2[nH]1.
What is the InChIKey of N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is ABHPZKGJIKLFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-4-3-6(15)13-8(9-4)11-7(12-13)10-5(2)14/h3H,1-2H3,(H2,9,10,11,12,14).
What are the key properties of N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 207.19 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 930380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).