2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C7H7BrN4 — CID 854932

IUPAC2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(Br)nc2n1
InChIInChI=1S/C7H7BrN4/c1-4-3-5(2)12-7(9-4)10-6(8)11-12/h3H,1-2H3
InChIKeyRZBMEMUKZHCDIF-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.50
Rot. Bonds

About 2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 854932) has the molecular formula C7H7BrN4 and a molecular weight of 227.06 g/mol. Its IUPAC name is 2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID854932
Molecular FormulaC7H7BrN4
Molecular Weight227.06 g/mol
Exact Mass225.99
IUPAC Name2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(Br)nc2n1
InChIInChI=1S/C7H7BrN4/c1-4-3-5(2)12-7(9-4)10-6(8)11-12/h3H,1-2H3
InChIKeyRZBMEMUKZHCDIF-UHFFFAOYSA-N
XLogP1.50
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 854932) is 2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(Br)nc2n1.
What is the InChIKey of 2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RZBMEMUKZHCDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4/c1-4-3-5(2)12-7(9-4)10-6(8)11-12/h3H,1-2H3.
What are the key properties of 2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 227.06 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 854932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).