6-(2-aminopropan-2-yl)-2-propylpyridazin-3-one

C10H17N3O — CID 82442261

IUPAC6-(2-aminopropan-2-yl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(C)(C)N)ccc1=O
InChIInChI=1S/C10H17N3O/c1-4-7-13-9(14)6-5-8(12-13)10(2,3)11/h5-6H,4,7,11H2,1-3H3
InChIKeyXMSNKULZHVBSMB-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.85
Rot. Bonds3

About 6-(2-aminopropan-2-yl)-2-propylpyridazin-3-one

6-(2-aminopropan-2-yl)-2-propylpyridazin-3-one (PubChem CID 82442261) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 6-(2-aminopropan-2-yl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-(2-aminopropan-2-yl)-2-propylpyridazin-3-one
PubChem CID82442261
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name6-(2-aminopropan-2-yl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(C)(C)N)ccc1=O
InChIInChI=1S/C10H17N3O/c1-4-7-13-9(14)6-5-8(12-13)10(2,3)11/h5-6H,4,7,11H2,1-3H3
InChIKeyXMSNKULZHVBSMB-UHFFFAOYSA-N
XLogP0.85
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Methyl-6-oxopyridazin-1(6H)-yl)propanamide
CID 12787584
2-(1-Fluoroethyl)-6-propan-2-ylpyridazin-3-one
CID 170175302
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-Methyl-2-propylpyridazin-3-one
CID 12504076
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
6-Methyl-2-(2-methylpropyl)pyridazin-3-one
CID 59803322
N-ethyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 60636499
2-(4-Aminobutyl)-6-cyclohexa-1,5-dien-1-ylpyridazin-3-one
CID 70528697
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-propylpyridazin-3-one?
The IUPAC name of 6-(2-aminopropan-2-yl)-2-propylpyridazin-3-one (CID 82442261) is 6-(2-aminopropan-2-yl)-2-propylpyridazin-3-one.
What is the SMILES notation for 6-(2-aminopropan-2-yl)-2-propylpyridazin-3-one?
The canonical SMILES for 6-(2-aminopropan-2-yl)-2-propylpyridazin-3-one is CCCn1nc(C(C)(C)N)ccc1=O.
What is the InChIKey of 6-(2-aminopropan-2-yl)-2-propylpyridazin-3-one?
The InChIKey is XMSNKULZHVBSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-7-13-9(14)6-5-8(12-13)10(2,3)11/h5-6H,4,7,11H2,1-3H3.
What are the key properties of 6-(2-aminopropan-2-yl)-2-propylpyridazin-3-one?
6-(2-aminopropan-2-yl)-2-propylpyridazin-3-one has a molecular weight of 195.27 g/mol, XLogP of 0.85, 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-propylpyridazin-3-one is sourced from PubChem (CID 82442261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).