N,2-dimethylpropan-1-amine;4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzaldehyde

C17H25N3O2 — CID 142035039

IUPACN,2-dimethylpropan-1-amine;4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzaldehyde
SMILESCC1CC(=O)NN=C1c1ccc(C=O)cc1.CNCC(C)C
InChIInChI=1S/C12H12N2O2.C5H13N/c1-8-6-11(16)13-14-12(8)10-4-2-9(7-15)3-5-10;1-5(2)4-6-3/h2-5,7-8H,6H2,1H3,(H,13,16);5-6H,4H2,1-3H3
InChIKeyGYWMRMYGWSZPSN-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.22
Rot. Bonds4

About N,2-dimethylpropan-1-amine;4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzaldehyde

N,2-dimethylpropan-1-amine;4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzaldehyde (PubChem CID 142035039) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N,2-dimethylpropan-1-amine;4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzaldehyde.

Molecular Properties

Compound NameN,2-dimethylpropan-1-amine;4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzaldehyde
PubChem CID142035039
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN,2-dimethylpropan-1-amine;4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzaldehyde
SMILESCC1CC(=O)NN=C1c1ccc(C=O)cc1.CNCC(C)C
InChIInChI=1S/C12H12N2O2.C5H13N/c1-8-6-11(16)13-14-12(8)10-4-2-9(7-15)3-5-10;1-5(2)4-6-3/h2-5,7-8H,6H2,1H3,(H,13,16);5-6H,4H2,1-3H3
InChIKeyGYWMRMYGWSZPSN-UHFFFAOYSA-N
XLogP2.22
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 154664066
3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 154945851
2-(methylamino)-N-[2-(methylamino)acetyl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
CID 70375339
N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
3-[4-(dichloromethoxymethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 70572990
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
CID 14623690
2-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinyl]propanedinitrile
CID 142653939
4-amino-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide
CID 19854552
3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 3021729
(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 71576736
2,3-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-oxopentanethioamide
CID 88654008
(4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 71576770

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpropan-1-amine;4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzaldehyde?
The IUPAC name of N,2-dimethylpropan-1-amine;4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzaldehyde (CID 142035039) is N,2-dimethylpropan-1-amine;4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzaldehyde.
What is the SMILES notation for N,2-dimethylpropan-1-amine;4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzaldehyde?
The canonical SMILES for N,2-dimethylpropan-1-amine;4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzaldehyde is CC1CC(=O)NN=C1c1ccc(C=O)cc1.CNCC(C)C.
What is the InChIKey of N,2-dimethylpropan-1-amine;4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzaldehyde?
The InChIKey is GYWMRMYGWSZPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.C5H13N/c1-8-6-11(16)13-14-12(8)10-4-2-9(7-15)3-5-10;1-5(2)4-6-3/h2-5,7-8H,6H2,1H3,(H,13,16);5-6H,4H2,1-3H3.
What are the key properties of N,2-dimethylpropan-1-amine;4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzaldehyde?
N,2-dimethylpropan-1-amine;4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzaldehyde has a molecular weight of 303.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpropan-1-amine;4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzaldehyde is sourced from PubChem (CID 142035039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).