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

C13H12N4O — CID 66491531

IUPAC7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(C)nn23)cc1
InChIInChI=1S/C13H12N4O/c1-9-15-13-14-8-7-12(17(13)16-9)10-3-5-11(18-2)6-4-10/h3-8H,1-2H3
InChIKeyOPQOFMMPYMVUKY-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.11
Rot. Bonds2

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

7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 66491531) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID66491531
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(C)nn23)cc1
InChIInChI=1S/C13H12N4O/c1-9-15-13-14-8-7-12(17(13)16-9)10-3-5-11(18-2)6-4-10/h3-8H,1-2H3
InChIKeyOPQOFMMPYMVUKY-UHFFFAOYSA-N
XLogP2.11
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 66491531) is 7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3nc(C)nn23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OPQOFMMPYMVUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-15-13-14-8-7-12(17(13)16-9)10-3-5-11(18-2)6-4-10/h3-8H,1-2H3.
What are the key properties of 7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 240.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66491531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).