7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine

C15H15ClN4 — CID 65428011

IUPAC7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc(C)c(-c2nnc3cc(Cl)nc(C)n23)c(C)c1
InChIInChI=1S/C15H15ClN4/c1-8-5-9(2)14(10(3)6-8)15-19-18-13-7-12(16)17-11(4)20(13)15/h5-7H,1-4H3
InChIKeyUNEUPUFXIYIBGC-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.68
Rot. Bonds1

About 7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 65428011) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID65428011
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1cc(C)c(-c2nnc3cc(Cl)nc(C)n23)c(C)c1
InChIInChI=1S/C15H15ClN4/c1-8-5-9(2)14(10(3)6-8)15-19-18-13-7-12(16)17-11(4)20(13)15/h5-7H,1-4H3
InChIKeyUNEUPUFXIYIBGC-UHFFFAOYSA-N
XLogP3.68
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 65428011) is 7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1cc(C)c(-c2nnc3cc(Cl)nc(C)n23)c(C)c1.
What is the InChIKey of 7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is UNEUPUFXIYIBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-8-5-9(2)14(10(3)6-8)15-19-18-13-7-12(16)17-11(4)20(13)15/h5-7H,1-4H3.
What are the key properties of 7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 286.77 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 65428011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).