3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one

C7H8BrN3O — CID 84793445

IUPAC3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one
SMILESNC1(c2cc(Br)c(=O)[nH]n2)CC1
InChIInChI=1S/C7H8BrN3O/c8-4-3-5(7(9)1-2-7)10-11-6(4)12/h3H,1-2,9H2,(H,11,12)
InChIKeyFRGPFYYMIOUDDP-UHFFFAOYSA-N
MW230.06 g/mol
LogP0.48
Rot. Bonds1

About 3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one

3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one (PubChem CID 84793445) has the molecular formula C7H8BrN3O and a molecular weight of 230.06 g/mol. Its IUPAC name is 3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one
PubChem CID84793445
Molecular FormulaC7H8BrN3O
Molecular Weight230.06 g/mol
Exact Mass228.99
IUPAC Name3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one
SMILESNC1(c2cc(Br)c(=O)[nH]n2)CC1
InChIInChI=1S/C7H8BrN3O/c8-4-3-5(7(9)1-2-7)10-11-6(4)12/h3H,1-2,9H2,(H,11,12)
InChIKeyFRGPFYYMIOUDDP-UHFFFAOYSA-N
XLogP0.48
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one?
The IUPAC name of 3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one (CID 84793445) is 3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one.
What is the SMILES notation for 3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one?
The canonical SMILES for 3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one is NC1(c2cc(Br)c(=O)[nH]n2)CC1.
What is the InChIKey of 3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one?
The InChIKey is FRGPFYYMIOUDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O/c8-4-3-5(7(9)1-2-7)10-11-6(4)12/h3H,1-2,9H2,(H,11,12).
What are the key properties of 3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one?
3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one has a molecular weight of 230.06 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one is sourced from PubChem (CID 84793445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).