5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

C14H14N4 — CID 2337721

IUPAC5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(-c3ccccc3)nn2c(C)c1C
InChIInChI=1S/C14H14N4/c1-9-10(2)15-14-16-13(17-18(14)11(9)3)12-7-5-4-6-8-12/h4-8H,1-3H3
InChIKeyJFADSZPEDWUFNE-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.72
Rot. Bonds1

About 5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 2337721) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID2337721
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(-c3ccccc3)nn2c(C)c1C
InChIInChI=1S/C14H14N4/c1-9-10(2)15-14-16-13(17-18(14)11(9)3)12-7-5-4-6-8-12/h4-8H,1-3H3
InChIKeyJFADSZPEDWUFNE-UHFFFAOYSA-N
XLogP2.72
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 2337721) is 5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(-c3ccccc3)nn2c(C)c1C.
What is the InChIKey of 5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is JFADSZPEDWUFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-10(2)15-14-16-13(17-18(14)11(9)3)12-7-5-4-6-8-12/h4-8H,1-3H3.
What are the key properties of 5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 238.29 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2337721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).