7-bromo-4-propan-2-ylpyrazino[2,3-c]pyridazine

C9H9BrN4 — CID 129075529

IUPAC7-bromo-4-propan-2-ylpyrazino[2,3-c]pyridazine
SMILESCC(C)c1cnnc2nc(Br)cnc12
InChIInChI=1S/C9H9BrN4/c1-5(2)6-3-12-14-9-8(6)11-4-7(10)13-9/h3-5H,1-2H3
InChIKeySVVXZJJTVARODE-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.31
Rot. Bonds1

About 7-bromo-4-propan-2-ylpyrazino[2,3-c]pyridazine

7-bromo-4-propan-2-ylpyrazino[2,3-c]pyridazine (PubChem CID 129075529) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is 7-bromo-4-propan-2-ylpyrazino[2,3-c]pyridazine.

Molecular Properties

Compound Name7-bromo-4-propan-2-ylpyrazino[2,3-c]pyridazine
PubChem CID129075529
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Name7-bromo-4-propan-2-ylpyrazino[2,3-c]pyridazine
SMILESCC(C)c1cnnc2nc(Br)cnc12
InChIInChI=1S/C9H9BrN4/c1-5(2)6-3-12-14-9-8(6)11-4-7(10)13-9/h3-5H,1-2H3
InChIKeySVVXZJJTVARODE-UHFFFAOYSA-N
XLogP2.31
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-propan-2-ylpyrazino[2,3-c]pyridazine?
The IUPAC name of 7-bromo-4-propan-2-ylpyrazino[2,3-c]pyridazine (CID 129075529) is 7-bromo-4-propan-2-ylpyrazino[2,3-c]pyridazine.
What is the SMILES notation for 7-bromo-4-propan-2-ylpyrazino[2,3-c]pyridazine?
The canonical SMILES for 7-bromo-4-propan-2-ylpyrazino[2,3-c]pyridazine is CC(C)c1cnnc2nc(Br)cnc12.
What is the InChIKey of 7-bromo-4-propan-2-ylpyrazino[2,3-c]pyridazine?
The InChIKey is SVVXZJJTVARODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4/c1-5(2)6-3-12-14-9-8(6)11-4-7(10)13-9/h3-5H,1-2H3.
What are the key properties of 7-bromo-4-propan-2-ylpyrazino[2,3-c]pyridazine?
7-bromo-4-propan-2-ylpyrazino[2,3-c]pyridazine has a molecular weight of 253.10 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-propan-2-ylpyrazino[2,3-c]pyridazine is sourced from PubChem (CID 129075529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).