7-bromo-3-tert-butylimidazo[1,2-b][1,2,4]triazine

C9H11BrN4 — CID 22329521

IUPAC7-bromo-3-tert-butylimidazo[1,2-b][1,2,4]triazine
SMILESCC(C)(C)c1cnn2c(Br)cnc2n1
InChIInChI=1S/C9H11BrN4/c1-9(2,3)6-4-12-14-7(10)5-11-8(14)13-6/h4-5H,1-3H3
InChIKeyPZCKDEHMWFMSLF-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.18
Rot. Bonds

About 7-bromo-3-tert-butylimidazo[1,2-b][1,2,4]triazine

7-bromo-3-tert-butylimidazo[1,2-b][1,2,4]triazine (PubChem CID 22329521) has the molecular formula C9H11BrN4 and a molecular weight of 255.12 g/mol. Its IUPAC name is 7-bromo-3-tert-butylimidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name7-bromo-3-tert-butylimidazo[1,2-b][1,2,4]triazine
PubChem CID22329521
Molecular FormulaC9H11BrN4
Molecular Weight255.12 g/mol
Exact Mass254.02
IUPAC Name7-bromo-3-tert-butylimidazo[1,2-b][1,2,4]triazine
SMILESCC(C)(C)c1cnn2c(Br)cnc2n1
InChIInChI=1S/C9H11BrN4/c1-9(2,3)6-4-12-14-7(10)5-11-8(14)13-6/h4-5H,1-3H3
InChIKeyPZCKDEHMWFMSLF-UHFFFAOYSA-N
XLogP2.18
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-tert-butylimidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 7-bromo-3-tert-butylimidazo[1,2-b][1,2,4]triazine (CID 22329521) is 7-bromo-3-tert-butylimidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 7-bromo-3-tert-butylimidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 7-bromo-3-tert-butylimidazo[1,2-b][1,2,4]triazine is CC(C)(C)c1cnn2c(Br)cnc2n1.
What is the InChIKey of 7-bromo-3-tert-butylimidazo[1,2-b][1,2,4]triazine?
The InChIKey is PZCKDEHMWFMSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4/c1-9(2,3)6-4-12-14-7(10)5-11-8(14)13-6/h4-5H,1-3H3.
What are the key properties of 7-bromo-3-tert-butylimidazo[1,2-b][1,2,4]triazine?
7-bromo-3-tert-butylimidazo[1,2-b][1,2,4]triazine has a molecular weight of 255.12 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-tert-butylimidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 22329521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).