(4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C11H13N3O — CID 10465484

IUPAC(4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@@H]1CC(=O)NN=C1c1ccc(N)cc1
InChIInChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)/t7-/m1/s1
InChIKeyGDMRFHZLKNYRRO-SSDOTTSWSA-N
MW203.25 g/mol
LogP1.13
Rot. Bonds1

About (4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

(4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 10465484) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is (4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID10465484
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name(4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@@H]1CC(=O)NN=C1c1ccc(N)cc1
InChIInChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)/t7-/m1/s1
InChIKeyGDMRFHZLKNYRRO-SSDOTTSWSA-N
XLogP1.13
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Levosimendan
CID 3033825
Amipizone
CID 68889
Simendan
CID 60867
OR-1896
CID 9816296
ethyl N-{4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}carbamate
CID 23647031
(5R)-5-methyl-6-{4-[(2-methyl-3-oxocyclohex-1-en-1-yl)amino]phenyl}-2,3,4,5-tetrahydropyridazin-3-one
CID 23647032
N-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide
CID 2814945
6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
CID 3111187
N-(4-{N-[(2-phenylcyclopropyl)carbonyl]ethanehydrazonoyl}phenyl)acetamide
CID 9621764
N-[4-[(E)-2-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)ethenyl]phenyl]acetamide
CID 13854249
2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]guanidine
CID 139386310
Dnmdp-2
CID 71576742

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 10465484) is (4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is C[C@@H]1CC(=O)NN=C1c1ccc(N)cc1.
What is the InChIKey of (4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is GDMRFHZLKNYRRO-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)/t7-/m1/s1.
What are the key properties of (4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
(4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 203.25 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 10465484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).