2-[2-(aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one

C9H13N3O2 — CID 103073140

IUPAC2-[2-(aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
SMILESC=C(CN)Cn1nc(OC)ccc1=O
InChIInChI=1S/C9H13N3O2/c1-7(5-10)6-12-9(13)4-3-8(11-12)14-2/h3-4H,1,5-6,10H2,2H3
InChIKeyBNPZJFYYLLVKKI-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.23
Rot. Bonds4

About 2-[2-(aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one

2-[2-(aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one (PubChem CID 103073140) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[2-(aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
PubChem CID103073140
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[2-(aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
SMILESC=C(CN)Cn1nc(OC)ccc1=O
InChIInChI=1S/C9H13N3O2/c1-7(5-10)6-12-9(13)4-3-8(11-12)14-2/h3-4H,1,5-6,10H2,2H3
InChIKeyBNPZJFYYLLVKKI-UHFFFAOYSA-N
XLogP-0.23
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-6-methoxypyridazin-3-one
CID 113807420
6-Methoxy-2-propylpyridazin-3-one
CID 131085900
2-[2-(Chloromethyl)prop-2-enyl]-6-methoxypyridazin-3-one
CID 103065898
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
6-Methoxy-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one
CID 103074112
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
2-(4-Amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one
CID 105061503

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one (CID 103073140) is 2-[2-(aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one is C=C(CN)Cn1nc(OC)ccc1=O.
What is the InChIKey of 2-[2-(aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one?
The InChIKey is BNPZJFYYLLVKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7(5-10)6-12-9(13)4-3-8(11-12)14-2/h3-4H,1,5-6,10H2,2H3.
What are the key properties of 2-[2-(aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one?
2-[2-(aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one has a molecular weight of 195.22 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 103073140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).