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

C17H20N4 — CID 4662258

IUPAC5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)c(Cc2c(C)nc3ncnn3c2C)c(C)c1
InChIInChI=1S/C17H20N4/c1-10-6-11(2)15(12(3)7-10)8-16-13(4)20-17-18-9-19-21(17)14(16)5/h6-7,9H,8H2,1-5H3
InChIKeyTXAOAHDDMPUWJN-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.26
Rot. Bonds2

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

5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 4662258) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID4662258
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)c(Cc2c(C)nc3ncnn3c2C)c(C)c1
InChIInChI=1S/C17H20N4/c1-10-6-11(2)15(12(3)7-10)8-16-13(4)20-17-18-9-19-21(17)14(16)5/h6-7,9H,8H2,1-5H3
InChIKeyTXAOAHDDMPUWJN-UHFFFAOYSA-N
XLogP3.26
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.26
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)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 4662258) is 5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)c(Cc2c(C)nc3ncnn3c2C)c(C)c1.
What is the InChIKey of 5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is TXAOAHDDMPUWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-10-6-11(2)15(12(3)7-10)8-16-13(4)20-17-18-9-19-21(17)14(16)5/h6-7,9H,8H2,1-5H3.
What are the key properties of 5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 280.38 g/mol, XLogP of 3.26, 2 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)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4662258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).