6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one

C12H19N3O2 — CID 103073143

IUPAC6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC(C)C)Cn1nc(OC)ccc1=O
InChIInChI=1S/C12H19N3O2/c1-9(2)13-7-10(3)8-15-12(16)6-5-11(14-15)17-4/h5-6,9,13H,3,7-8H2,1-2,4H3
InChIKeyRBZOBTIETXXBQL-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.81
Rot. Bonds6

About 6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one

6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one (PubChem CID 103073143) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
PubChem CID103073143
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC(C)C)Cn1nc(OC)ccc1=O
InChIInChI=1S/C12H19N3O2/c1-9(2)13-7-10(3)8-15-12(16)6-5-11(14-15)17-4/h5-6,9,13H,3,7-8H2,1-2,4H3
InChIKeyRBZOBTIETXXBQL-UHFFFAOYSA-N
XLogP0.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(Propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
CID 103072319
2-[2-(Aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073140
2-[2-(Ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073141
6-Methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073142
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073144
2-(4-Aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
2-(3-Aminopropyl)-6-methoxypyridazin-3-one
CID 105061504
2-(3-Amino-2-methylpropyl)-6-methoxypyridazin-3-one
CID 105061509
2-(5-Aminopentyl)-6-methoxypyridazin-3-one
CID 105061512
2-Amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
CID 105061569
2-[2-(Ethylamino)ethyl]-6-methoxypyridazin-3-one
CID 105061618
2-[2-(Ethylamino)propyl]-6-methoxypyridazin-3-one
CID 105061619

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
The IUPAC name of 6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one (CID 103073143) is 6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one is C=C(CNC(C)C)Cn1nc(OC)ccc1=O.
What is the InChIKey of 6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
The InChIKey is RBZOBTIETXXBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)13-7-10(3)8-15-12(16)6-5-11(14-15)17-4/h5-6,9,13H,3,7-8H2,1-2,4H3.
What are the key properties of 6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one has a molecular weight of 237.30 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103073143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).