2-(methoxymethyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C14H14N4O2 — CID 47001589

IUPAC2-(methoxymethyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1nc2nccc(-c3ccccc3OC)n2n1
InChIInChI=1S/C14H14N4O2/c1-19-9-13-16-14-15-8-7-11(18(14)17-13)10-5-3-4-6-12(10)20-2/h3-8H,9H2,1-2H3
InChIKeyMHHICRVJGGSUCY-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.95
Rot. Bonds4

About 2-(methoxymethyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

2-(methoxymethyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 47001589) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(methoxymethyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID47001589
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-(methoxymethyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1nc2nccc(-c3ccccc3OC)n2n1
InChIInChI=1S/C14H14N4O2/c1-19-9-13-16-14-15-8-7-11(18(14)17-13)10-5-3-4-6-12(10)20-2/h3-8H,9H2,1-2H3
InChIKeyMHHICRVJGGSUCY-UHFFFAOYSA-N
XLogP1.95
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 47001589) is 2-(methoxymethyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COCc1nc2nccc(-c3ccccc3OC)n2n1.
What is the InChIKey of 2-(methoxymethyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MHHICRVJGGSUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-19-9-13-16-14-15-8-7-11(18(14)17-13)10-5-3-4-6-12(10)20-2/h3-8H,9H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(methoxymethyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 270.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 47001589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).