methyl 4-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoate

C15H14N4O3 — CID 51086869

IUPACmethyl 4-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoate
SMILESCOC(=O)c1ccc(C)c(Oc2cc(C)nc3ncnn23)c1
InChIInChI=1S/C15H14N4O3/c1-9-4-5-11(14(20)21-3)7-12(9)22-13-6-10(2)18-15-16-8-17-19(13)15/h4-8H,1-3H3
InChIKeyTZCVIEKXQBYZJW-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.32
Rot. Bonds3

About methyl 4-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoate

methyl 4-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoate (PubChem CID 51086869) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl 4-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoate
PubChem CID51086869
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Namemethyl 4-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoate
SMILESCOC(=O)c1ccc(C)c(Oc2cc(C)nc3ncnn23)c1
InChIInChI=1S/C15H14N4O3/c1-9-4-5-11(14(20)21-3)7-12(9)22-13-6-10(2)18-15-16-8-17-19(13)15/h4-8H,1-3H3
InChIKeyTZCVIEKXQBYZJW-UHFFFAOYSA-N
XLogP2.32
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoate 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 methyl 4-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoate?
The IUPAC name of methyl 4-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoate (CID 51086869) is methyl 4-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoate?
The canonical SMILES for methyl 4-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoate is COC(=O)c1ccc(C)c(Oc2cc(C)nc3ncnn23)c1.
What is the InChIKey of methyl 4-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoate?
The InChIKey is TZCVIEKXQBYZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-9-4-5-11(14(20)21-3)7-12(9)22-13-6-10(2)18-15-16-8-17-19(13)15/h4-8H,1-3H3.
What are the key properties of methyl 4-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoate?
methyl 4-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoate has a molecular weight of 298.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzoate is sourced from PubChem (CID 51086869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).