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

C13H12N4O2 — CID 1265865

IUPAC5-methyl-2-(phenoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(COc3ccccc3)nc2n1
InChIInChI=1S/C13H12N4O2/c1-9-7-12(18)17-13(14-9)15-11(16-17)8-19-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeySPRCDTLDRJOFOK-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.31
Rot. Bonds3

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

5-methyl-2-(phenoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 1265865) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-methyl-2-(phenoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-(phenoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID1265865
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name5-methyl-2-(phenoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(COc3ccccc3)nc2n1
InChIInChI=1S/C13H12N4O2/c1-9-7-12(18)17-13(14-9)15-11(16-17)8-19-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeySPRCDTLDRJOFOK-UHFFFAOYSA-N
XLogP1.31
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(phenoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-(phenoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 1265865) is 5-methyl-2-(phenoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-(phenoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-(phenoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(COc3ccccc3)nc2n1.
What is the InChIKey of 5-methyl-2-(phenoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SPRCDTLDRJOFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-9-7-12(18)17-13(14-9)15-11(16-17)8-19-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15,16).
What are the key properties of 5-methyl-2-(phenoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-(phenoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 256.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(phenoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1265865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).