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

C14H14N4O3 — CID 652810

IUPAC7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SMILESCOCc1cc(=O)n2c(-c3ccccc3OC)n[nH]c2n1
InChIInChI=1S/C14H14N4O3/c1-20-8-9-7-12(19)18-13(16-17-14(18)15-9)10-5-3-4-6-11(10)21-2/h3-7H,8H2,1-2H3,(H,15,17)
InChIKeyQBHAYGVGPIOFPZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.24
Rot. Bonds4

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

7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (PubChem CID 652810) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
PubChem CID652810
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SMILESCOCc1cc(=O)n2c(-c3ccccc3OC)n[nH]c2n1
InChIInChI=1S/C14H14N4O3/c1-20-8-9-7-12(19)18-13(16-17-14(18)15-9)10-5-3-4-6-11(10)21-2/h3-7H,8H2,1-2H3,(H,15,17)
InChIKeyQBHAYGVGPIOFPZ-UHFFFAOYSA-N
XLogP1.24
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The IUPAC name of 7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (CID 652810) is 7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.
What is the SMILES notation for 7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The canonical SMILES for 7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one is COCc1cc(=O)n2c(-c3ccccc3OC)n[nH]c2n1.
What is the InChIKey of 7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The InChIKey is QBHAYGVGPIOFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-20-8-9-7-12(19)18-13(16-17-14(18)15-9)10-5-3-4-6-11(10)21-2/h3-7H,8H2,1-2H3,(H,15,17).
What are the key properties of 7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one has a molecular weight of 286.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one is sourced from PubChem (CID 652810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).