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

C13H12N4 — CID 930473

IUPAC5-methyl-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cc(C)nc3ncnn23)cc1
InChIInChI=1S/C13H12N4/c1-9-3-5-11(6-4-9)12-7-10(2)16-13-14-8-15-17(12)13/h3-8H,1-2H3
InChIKeyQKWRNBFDUPDKFQ-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.41
Rot. Bonds1

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

5-methyl-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 930473) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 5-methyl-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID930473
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name5-methyl-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cc(C)nc3ncnn23)cc1
InChIInChI=1S/C13H12N4/c1-9-3-5-11(6-4-9)12-7-10(2)16-13-14-8-15-17(12)13/h3-8H,1-2H3
InChIKeyQKWRNBFDUPDKFQ-UHFFFAOYSA-N
XLogP2.41
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 930473) is 5-methyl-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccc(-c2cc(C)nc3ncnn23)cc1.
What is the InChIKey of 5-methyl-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QKWRNBFDUPDKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-3-5-11(6-4-9)12-7-10(2)16-13-14-8-15-17(12)13/h3-8H,1-2H3.
What are the key properties of 5-methyl-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 224.27 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 930473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).