2-(2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C9H12N4O2 — CID 53391756

IUPAC2-(2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOCCc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C9H12N4O2/c1-6-5-8(14)13-9(10-6)11-7(12-13)3-4-15-2/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyQPEDBIMYRQHLGE-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.09
Rot. Bonds3

About 2-(2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-(2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 53391756) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID53391756
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-(2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOCCc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C9H12N4O2/c1-6-5-8(14)13-9(10-6)11-7(12-13)3-4-15-2/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyQPEDBIMYRQHLGE-UHFFFAOYSA-N
XLogP-0.09
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 53391756) is 2-(2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COCCc1nc2nc(C)cc(=O)n2[nH]1.
What is the InChIKey of 2-(2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QPEDBIMYRQHLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-6-5-8(14)13-9(10-6)11-7(12-13)3-4-15-2/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 2-(2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 208.22 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 53391756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).