6-[2-(1-aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one

C12H19N3O — CID 105477958

IUPAC6-[2-(1-aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(CCC2(N)CC2)ccc1=O
InChIInChI=1S/C12H19N3O/c1-9(2)15-11(16)4-3-10(14-15)5-6-12(13)7-8-12/h3-4,9H,5-8,13H2,1-2H3
InChIKeyDUOJYMVKBIXKBQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.25
Rot. Bonds4

About 6-[2-(1-aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one

6-[2-(1-aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one (PubChem CID 105477958) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-[2-(1-aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-(1-aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one
PubChem CID105477958
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-[2-(1-aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(CCC2(N)CC2)ccc1=O
InChIInChI=1S/C12H19N3O/c1-9(2)15-11(16)4-3-10(14-15)5-6-12(13)7-8-12/h3-4,9H,5-8,13H2,1-2H3
InChIKeyDUOJYMVKBIXKBQ-UHFFFAOYSA-N
XLogP1.25
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one
CID 25802815
2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one
CID 25802979
6-[1-(3-Methylbutylamino)propyl]-2-propylpyridazin-3-one
CID 156423812
2-(5-Aminohexyl)-6-methylpyridazin-3-one
CID 62923210
2-[2-(Dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one
CID 62926363
6-(2-Aminopropan-2-yl)-2-ethylpyridazin-3-one
CID 82442179
6-(2-Aminopropan-2-yl)-2-propylpyridazin-3-one
CID 82442261
6-(2-Aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
CID 82442340
6-(2-Aminopropan-2-yl)-2-butylpyridazin-3-one
CID 82442413
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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-[2-(1-aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one (CID 105477958) is 6-[2-(1-aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-[2-(1-aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-[2-(1-aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(CCC2(N)CC2)ccc1=O.
What is the InChIKey of 6-[2-(1-aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one?
The InChIKey is DUOJYMVKBIXKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)15-11(16)4-3-10(14-15)5-6-12(13)7-8-12/h3-4,9H,5-8,13H2,1-2H3.
What are the key properties of 6-[2-(1-aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one?
6-[2-(1-aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one has a molecular weight of 221.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 105477958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).