5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C16H18N4 — CID 58896608

IUPAC5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)c(-c2c(C)nc3ncnn3c2C)c(C)c1
InChIInChI=1S/C16H18N4/c1-9-6-10(2)14(11(3)7-9)15-12(4)19-16-17-8-18-20(16)13(15)5/h6-8H,1-5H3
InChIKeyZUYKPOKBEAXUHH-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.33
Rot. Bonds1

About 5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 58896608) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID58896608
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)c(-c2c(C)nc3ncnn3c2C)c(C)c1
InChIInChI=1S/C16H18N4/c1-9-6-10(2)14(11(3)7-9)15-12(4)19-16-17-8-18-20(16)13(15)5/h6-8H,1-5H3
InChIKeyZUYKPOKBEAXUHH-UHFFFAOYSA-N
XLogP3.33
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 58896608) is 5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)c(-c2c(C)nc3ncnn3c2C)c(C)c1.
What is the InChIKey of 5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZUYKPOKBEAXUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-9-6-10(2)14(11(3)7-9)15-12(4)19-16-17-8-18-20(16)13(15)5/h6-8H,1-5H3.
What are the key properties of 5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 266.35 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 58896608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).