8-bromo-2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine

C15H15BrN4 — CID 12916112

IUPAC8-bromo-2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCc1nc(CC)n2nc(-c3ccccc3)c(Br)c2n1
InChIInChI=1S/C15H15BrN4/c1-3-11-17-12(4-2)20-15(18-11)13(16)14(19-20)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyBRTFASWNTSZEJA-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.68
Rot. Bonds3

About 8-bromo-2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine

8-bromo-2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 12916112) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 8-bromo-2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name8-bromo-2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID12916112
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name8-bromo-2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCc1nc(CC)n2nc(-c3ccccc3)c(Br)c2n1
InChIInChI=1S/C15H15BrN4/c1-3-11-17-12(4-2)20-15(18-11)13(16)14(19-20)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyBRTFASWNTSZEJA-UHFFFAOYSA-N
XLogP3.68
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 8-bromo-2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine (CID 12916112) is 8-bromo-2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 8-bromo-2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 8-bromo-2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine is CCc1nc(CC)n2nc(-c3ccccc3)c(Br)c2n1.
What is the InChIKey of 8-bromo-2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is BRTFASWNTSZEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-3-11-17-12(4-2)20-15(18-11)13(16)14(19-20)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of 8-bromo-2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine?
8-bromo-2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 331.22 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,4-diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 12916112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).