7-(methoxymethyl)-3-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one

C14H14N4O2 — CID 1227314

IUPAC7-(methoxymethyl)-3-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SMILESCOCc1cc(=O)n2c(-c3ccc(C)cc3)n[nH]c2n1
InChIInChI=1S/C14H14N4O2/c1-9-3-5-10(6-4-9)13-16-17-14-15-11(8-20-2)7-12(19)18(13)14/h3-7H,8H2,1-2H3,(H,15,17)
InChIKeyNAKJLHVQENSNHL-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.54
Rot. Bonds3

About 7-(methoxymethyl)-3-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one

7-(methoxymethyl)-3-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (PubChem CID 1227314) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 7-(methoxymethyl)-3-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(methoxymethyl)-3-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
PubChem CID1227314
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name7-(methoxymethyl)-3-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SMILESCOCc1cc(=O)n2c(-c3ccc(C)cc3)n[nH]c2n1
InChIInChI=1S/C14H14N4O2/c1-9-3-5-10(6-4-9)13-16-17-14-15-11(8-20-2)7-12(19)18(13)14/h3-7H,8H2,1-2H3,(H,15,17)
InChIKeyNAKJLHVQENSNHL-UHFFFAOYSA-N
XLogP1.54
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(methoxymethyl)-3-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-3-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The IUPAC name of 7-(methoxymethyl)-3-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (CID 1227314) is 7-(methoxymethyl)-3-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.
What is the SMILES notation for 7-(methoxymethyl)-3-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The canonical SMILES for 7-(methoxymethyl)-3-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one is COCc1cc(=O)n2c(-c3ccc(C)cc3)n[nH]c2n1.
What is the InChIKey of 7-(methoxymethyl)-3-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The InChIKey is NAKJLHVQENSNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-3-5-10(6-4-9)13-16-17-14-15-11(8-20-2)7-12(19)18(13)14/h3-7H,8H2,1-2H3,(H,15,17).
What are the key properties of 7-(methoxymethyl)-3-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
7-(methoxymethyl)-3-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one has a molecular weight of 270.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-3-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one is sourced from PubChem (CID 1227314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).