6-(1-aminocyclopropyl)-2-propan-2-ylpyridazin-3-one

C10H15N3O — CID 84772819

IUPAC6-(1-aminocyclopropyl)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(C2(N)CC2)ccc1=O
InChIInChI=1S/C10H15N3O/c1-7(2)13-9(14)4-3-8(12-13)10(11)5-6-10/h3-4,7H,5-6,11H2,1-2H3
InChIKeySBDXXXWCZWZFIN-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.77
Rot. Bonds2

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

6-(1-aminocyclopropyl)-2-propan-2-ylpyridazin-3-one (PubChem CID 84772819) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-(1-aminocyclopropyl)-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(1-aminocyclopropyl)-2-propan-2-ylpyridazin-3-one
PubChem CID84772819
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name6-(1-aminocyclopropyl)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(C2(N)CC2)ccc1=O
InChIInChI=1S/C10H15N3O/c1-7(2)13-9(14)4-3-8(12-13)10(11)5-6-10/h3-4,7H,5-6,11H2,1-2H3
InChIKeySBDXXXWCZWZFIN-UHFFFAOYSA-N
XLogP0.77
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 45850331
2-[(2S)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one
CID 25802815
2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one
CID 25802979
2,6-Di(propan-2-yl)pyridazin-3-one
CID 58748005
6-Tert-butyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 59802747
2-Cyclopropyl-6-methyl-2,3-dihydropyridazin-3-one
CID 126857284
2-Ethyl-6-propan-2-ylpyridazin-3-one
CID 146745776
6-[1-(3-Methylbutylamino)propyl]-2-propylpyridazin-3-one
CID 156423812
4-Amino-6-cyclopropyl-2-propan-2-ylpyridazin-3-one
CID 157041980
2-Cyclopropyl-6-propan-2-ylpyridazin-3-one
CID 168723844
N-[(1R)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 30797599
N-[(1S)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 30797600

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminocyclopropyl)-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-(1-aminocyclopropyl)-2-propan-2-ylpyridazin-3-one (CID 84772819) is 6-(1-aminocyclopropyl)-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-(1-aminocyclopropyl)-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-(1-aminocyclopropyl)-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(C2(N)CC2)ccc1=O.
What is the InChIKey of 6-(1-aminocyclopropyl)-2-propan-2-ylpyridazin-3-one?
The InChIKey is SBDXXXWCZWZFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)13-9(14)4-3-8(12-13)10(11)5-6-10/h3-4,7H,5-6,11H2,1-2H3.
What are the key properties of 6-(1-aminocyclopropyl)-2-propan-2-ylpyridazin-3-one?
6-(1-aminocyclopropyl)-2-propan-2-ylpyridazin-3-one has a molecular weight of 193.25 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminocyclopropyl)-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 84772819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).