6-(1-aminocyclopropyl)-4-bromo-2-methylpyridazin-3-one

C8H10BrN3O — CID 84802399

IUPAC6-(1-aminocyclopropyl)-4-bromo-2-methylpyridazin-3-one
SMILESCn1nc(C2(N)CC2)cc(Br)c1=O
InChIInChI=1S/C8H10BrN3O/c1-12-7(13)5(9)4-6(11-12)8(10)2-3-8/h4H,2-3,10H2,1H3
InChIKeyNTVDLBITOSEYCA-UHFFFAOYSA-N
MW244.09 g/mol
LogP0.49
Rot. Bonds1

About 6-(1-aminocyclopropyl)-4-bromo-2-methylpyridazin-3-one

6-(1-aminocyclopropyl)-4-bromo-2-methylpyridazin-3-one (PubChem CID 84802399) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 6-(1-aminocyclopropyl)-4-bromo-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(1-aminocyclopropyl)-4-bromo-2-methylpyridazin-3-one
PubChem CID84802399
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name6-(1-aminocyclopropyl)-4-bromo-2-methylpyridazin-3-one
SMILESCn1nc(C2(N)CC2)cc(Br)c1=O
InChIInChI=1S/C8H10BrN3O/c1-12-7(13)5(9)4-6(11-12)8(10)2-3-8/h4H,2-3,10H2,1H3
InChIKeyNTVDLBITOSEYCA-UHFFFAOYSA-N
XLogP0.49
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-Aminopropan-2-yl)-2-methylpyridazin-3-one
CID 82442098
6-(1-Aminocyclopropyl)-2-methylpyridazin-3-one
CID 84764921
6-(1-Aminocyclopropyl)-2-ethylpyridazin-3-one
CID 84767901
6-(1-Aminocyclopropyl)-2-propan-2-ylpyridazin-3-one
CID 84772819
6-(1-Aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one
CID 84775525
3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one
CID 84793445
6-[2-(1-Aminocyclopropyl)ethyl]-4-bromo-2-methylpyridazin-3-one
CID 105519111

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminocyclopropyl)-4-bromo-2-methylpyridazin-3-one?
The IUPAC name of 6-(1-aminocyclopropyl)-4-bromo-2-methylpyridazin-3-one (CID 84802399) is 6-(1-aminocyclopropyl)-4-bromo-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(1-aminocyclopropyl)-4-bromo-2-methylpyridazin-3-one?
The canonical SMILES for 6-(1-aminocyclopropyl)-4-bromo-2-methylpyridazin-3-one is Cn1nc(C2(N)CC2)cc(Br)c1=O.
What is the InChIKey of 6-(1-aminocyclopropyl)-4-bromo-2-methylpyridazin-3-one?
The InChIKey is NTVDLBITOSEYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c1-12-7(13)5(9)4-6(11-12)8(10)2-3-8/h4H,2-3,10H2,1H3.
What are the key properties of 6-(1-aminocyclopropyl)-4-bromo-2-methylpyridazin-3-one?
6-(1-aminocyclopropyl)-4-bromo-2-methylpyridazin-3-one has a molecular weight of 244.09 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminocyclopropyl)-4-bromo-2-methylpyridazin-3-one is sourced from PubChem (CID 84802399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).