7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C15H16N4O3 — CID 47001166

IUPAC7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1nc2nccc(-c3ccc(OC)c(OC)c3)n2n1
InChIInChI=1S/C15H16N4O3/c1-20-9-14-17-15-16-7-6-11(19(15)18-14)10-4-5-12(21-2)13(8-10)22-3/h4-8H,9H2,1-3H3
InChIKeyGWVUZHHATPOKBN-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.95
Rot. Bonds5

About 7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 47001166) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID47001166
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1nc2nccc(-c3ccc(OC)c(OC)c3)n2n1
InChIInChI=1S/C15H16N4O3/c1-20-9-14-17-15-16-7-6-11(19(15)18-14)10-4-5-12(21-2)13(8-10)22-3/h4-8H,9H2,1-3H3
InChIKeyGWVUZHHATPOKBN-UHFFFAOYSA-N
XLogP1.95
TPSA70.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 47001166) is 7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COCc1nc2nccc(-c3ccc(OC)c(OC)c3)n2n1.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GWVUZHHATPOKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-20-9-14-17-15-16-7-6-11(19(15)18-14)10-4-5-12(21-2)13(8-10)22-3/h4-8H,9H2,1-3H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 300.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 47001166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).