4-(3-bromo-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine

C9H10BrN5O — CID 23849629

IUPAC4-(3-bromo-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
SMILESBrc1nnc2ccc(N3CCOCC3)nn12
InChIInChI=1S/C9H10BrN5O/c10-9-12-11-7-1-2-8(13-15(7)9)14-3-5-16-6-4-14/h1-2H,3-6H2
InChIKeyNJQNIZBTRYOUJS-UHFFFAOYSA-N
MW284.12 g/mol
LogP0.72
Rot. Bonds1

About 4-(3-bromo-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine

4-(3-bromo-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine (PubChem CID 23849629) has the molecular formula C9H10BrN5O and a molecular weight of 284.12 g/mol. Its IUPAC name is 4-(3-bromo-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine.

Molecular Properties

Compound Name4-(3-bromo-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
PubChem CID23849629
Molecular FormulaC9H10BrN5O
Molecular Weight284.12 g/mol
Exact Mass283.01
IUPAC Name4-(3-bromo-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
SMILESBrc1nnc2ccc(N3CCOCC3)nn12
InChIInChI=1S/C9H10BrN5O/c10-9-12-11-7-1-2-8(13-15(7)9)14-3-5-16-6-4-14/h1-2H,3-6H2
InChIKeyNJQNIZBTRYOUJS-UHFFFAOYSA-N
XLogP0.72
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
The IUPAC name of 4-(3-bromo-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine (CID 23849629) is 4-(3-bromo-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine.
What is the SMILES notation for 4-(3-bromo-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
The canonical SMILES for 4-(3-bromo-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine is Brc1nnc2ccc(N3CCOCC3)nn12.
What is the InChIKey of 4-(3-bromo-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
The InChIKey is NJQNIZBTRYOUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O/c10-9-12-11-7-1-2-8(13-15(7)9)14-3-5-16-6-4-14/h1-2H,3-6H2.
What are the key properties of 4-(3-bromo-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
4-(3-bromo-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine has a molecular weight of 284.12 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine is sourced from PubChem (CID 23849629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).