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

C15H16N4 — CID 1255159

IUPAC5-methyl-7-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)c(-c2cc(C)nc3ncnn23)c(C)c1
InChIInChI=1S/C15H16N4/c1-9-5-10(2)14(11(3)6-9)13-7-12(4)18-15-16-8-17-19(13)15/h5-8H,1-4H3
InChIKeyHRZWFUSBIRRZMV-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.02
Rot. Bonds1

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

5-methyl-7-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 1255159) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-methyl-7-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID1255159
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name5-methyl-7-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)c(-c2cc(C)nc3ncnn23)c(C)c1
InChIInChI=1S/C15H16N4/c1-9-5-10(2)14(11(3)6-9)13-7-12(4)18-15-16-8-17-19(13)15/h5-8H,1-4H3
InChIKeyHRZWFUSBIRRZMV-UHFFFAOYSA-N
XLogP3.02
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 1255159) is 5-methyl-7-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)c(-c2cc(C)nc3ncnn23)c(C)c1.
What is the InChIKey of 5-methyl-7-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HRZWFUSBIRRZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-9-5-10(2)14(11(3)6-9)13-7-12(4)18-15-16-8-17-19(13)15/h5-8H,1-4H3.
What are the key properties of 5-methyl-7-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 252.32 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1255159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).