3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one

C14H17N3O — CID 82419803

IUPAC3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one
SMILESCc1cc(=O)c(C(C)(C)N)nn1-c1ccccc1
InChIInChI=1S/C14H17N3O/c1-10-9-12(18)13(14(2,3)15)16-17(10)11-7-5-4-6-8-11/h4-9H,15H2,1-3H3
InChIKeyOJVBBZMTYYACRI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.73
Rot. Bonds2

About 3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one

3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one (PubChem CID 82419803) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one
PubChem CID82419803
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one
SMILESCc1cc(=O)c(C(C)(C)N)nn1-c1ccccc1
InChIInChI=1S/C14H17N3O/c1-10-9-12(18)13(14(2,3)15)16-17(10)11-7-5-4-6-8-11/h4-9H,15H2,1-3H3
InChIKeyOJVBBZMTYYACRI-UHFFFAOYSA-N
XLogP1.73
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one
CID 14820815
5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole
CID 71416942
3-(6-methyl-4-oxo-1-phenylpyridazin-3-yl)propanoic acid
CID 82419815
1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one
CID 82420042
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
3-(chloromethyl)-5-methyl-1-phenylpyrazole
CID 82126485
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
ethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane
CID 142062673
N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17481644
3-(azepane-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one
CID 8869762
1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 11543623
N-(3-aminopropyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide;hydrochloride
CID 119406647

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one?
The IUPAC name of 3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one (CID 82419803) is 3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one?
The canonical SMILES for 3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one is Cc1cc(=O)c(C(C)(C)N)nn1-c1ccccc1.
What is the InChIKey of 3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one?
The InChIKey is OJVBBZMTYYACRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-9-12(18)13(14(2,3)15)16-17(10)11-7-5-4-6-8-11/h4-9H,15H2,1-3H3.
What are the key properties of 3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one?
3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one has a molecular weight of 243.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one is sourced from PubChem (CID 82419803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).