6-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one

C11H19N3O — CID 82442340

IUPAC6-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1nc(C(C)(C)N)ccc1=O
InChIInChI=1S/C11H19N3O/c1-8(2)7-14-10(15)6-5-9(13-14)11(3,4)12/h5-6,8H,7,12H2,1-4H3
InChIKeyXPGFJWPRBKPBBB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.09
Rot. Bonds3

About 6-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one

6-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82442340) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82442340
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name6-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1nc(C(C)(C)N)ccc1=O
InChIInChI=1S/C11H19N3O/c1-8(2)7-14-10(15)6-5-9(13-14)11(3,4)12/h5-6,8H,7,12H2,1-4H3
InChIKeyXPGFJWPRBKPBBB-UHFFFAOYSA-N
XLogP1.09
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-6-oxo-N-prop-2-enyl-1H-pyridazine-3-carboxamide
CID 40151649
2-(1-Fluoroethyl)-6-propan-2-ylpyridazin-3-one
CID 170175302
2-(2,2-Difluoroethyl)-6-propan-2-ylpyridazin-3-one
CID 176725895
2-[(2S)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one
CID 25802815
2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one
CID 25802979
N-(3-methylbutan-2-yl)-6-oxo-N-prop-2-enyl-1H-pyridazine-3-carboxamide
CID 42959606
2,6-Di(propan-2-yl)pyridazin-3-one
CID 58748005
2-Methyl-6-propan-2-ylpyridazin-3-one
CID 58757207
6-Tert-butyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 59802747
6-Methyl-2-(2-methylpropyl)pyridazin-3-one
CID 59803322
N,N-bis(3-methylbutyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 70971865
2-(2,2-Dimethylpropyl)-6-methylpyridazin-3-one
CID 89850535

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 6-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one (CID 82442340) is 6-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 6-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1nc(C(C)(C)N)ccc1=O.
What is the InChIKey of 6-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is XPGFJWPRBKPBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)7-14-10(15)6-5-9(13-14)11(3,4)12/h5-6,8H,7,12H2,1-4H3.
What are the key properties of 6-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one?
6-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82442340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).