2-(3-amino-2-methylpropyl)-6-methoxypyridazin-3-one

C9H15N3O2 — CID 105061509

IUPAC2-(3-amino-2-methylpropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(C)CN)n1
InChIInChI=1S/C9H15N3O2/c1-7(5-10)6-12-9(13)4-3-8(11-12)14-2/h3-4,7H,5-6,10H2,1-2H3
InChIKeyMWJJAUUQOHJRPC-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.15
Rot. Bonds4

About 2-(3-amino-2-methylpropyl)-6-methoxypyridazin-3-one

2-(3-amino-2-methylpropyl)-6-methoxypyridazin-3-one (PubChem CID 105061509) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)-6-methoxypyridazin-3-one
PubChem CID105061509
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(3-amino-2-methylpropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(C)CN)n1
InChIInChI=1S/C9H15N3O2/c1-7(5-10)6-12-9(13)4-3-8(11-12)14-2/h3-4,7H,5-6,10H2,1-2H3
InChIKeyMWJJAUUQOHJRPC-UHFFFAOYSA-N
XLogP-0.15
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-amino-2-methylpropyl)-6-methoxypyridazin-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

3,3,3-Trifluoro-2-[(3-methoxy-6-oxopyridazin-1-yl)methyl]propanethioamide
CID 103369009
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-6-methoxypyridazin-3-one
CID 113807420
6-Methoxy-2-propylpyridazin-3-one
CID 131085900
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
6-Methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
CID 103073143
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073144
2-[2-(2-Aminoethoxy)ethyl]-6-methoxypyridazin-3-one
CID 103482444
2-(1-Amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one
CID 105061447
2-(2-Aminoethyl)-6-methoxypyridazin-3-one
CID 105061489
2-(4-Aminobutyl)-6-methoxypyridazin-3-one
CID 105061500

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(3-amino-2-methylpropyl)-6-methoxypyridazin-3-one (CID 105061509) is 2-(3-amino-2-methylpropyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(3-amino-2-methylpropyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(C)CN)n1.
What is the InChIKey of 2-(3-amino-2-methylpropyl)-6-methoxypyridazin-3-one?
The InChIKey is MWJJAUUQOHJRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(5-10)6-12-9(13)4-3-8(11-12)14-2/h3-4,7H,5-6,10H2,1-2H3.
What are the key properties of 2-(3-amino-2-methylpropyl)-6-methoxypyridazin-3-one?
2-(3-amino-2-methylpropyl)-6-methoxypyridazin-3-one has a molecular weight of 197.24 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).