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

C12H17N3O2 — CID 103073144

IUPAC2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one
SMILESC=C(CNC1CC1)Cn1nc(OC)ccc1=O
InChIInChI=1S/C12H17N3O2/c1-9(7-13-10-3-4-10)8-15-12(16)6-5-11(14-15)17-2/h5-6,10,13H,1,3-4,7-8H2,2H3
InChIKeyGWVNIEWNJHKDCT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.56
Rot. Bonds6

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

2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one (PubChem CID 103073144) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one
PubChem CID103073144
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one
SMILESC=C(CNC1CC1)Cn1nc(OC)ccc1=O
InChIInChI=1S/C12H17N3O2/c1-9(7-13-10-3-4-10)8-15-12(16)6-5-11(14-15)17-2/h5-6,10,13H,1,3-4,7-8H2,2H3
InChIKeyGWVNIEWNJHKDCT-UHFFFAOYSA-N
XLogP0.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.56
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)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-(3-Aminopropyl)-6-methoxypyridazin-3-one
CID 105061504
2-(3-Amino-2-methylpropyl)-6-methoxypyridazin-3-one
CID 105061509
2-[2-(Ethylamino)propyl]-6-methoxypyridazin-3-one
CID 105061619
6-Methoxy-2-[2-(propylamino)propyl]pyridazin-3-one
CID 105061620
6-Methoxy-2-[2-(propylamino)ethyl]pyridazin-3-one
CID 105061621
6-Methoxy-2-[5-(methylamino)hexyl]pyridazin-3-one
CID 105061622
2-(5-Aminohexyl)-6-methoxypyridazin-3-one
CID 105061623
2-[2-(Ethylamino)pentyl]-6-methoxypyridazin-3-one
CID 105061624

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one (CID 103073144) is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one is C=C(CNC1CC1)Cn1nc(OC)ccc1=O.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one?
The InChIKey is GWVNIEWNJHKDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(7-13-10-3-4-10)8-15-12(16)6-5-11(14-15)17-2/h5-6,10,13H,1,3-4,7-8H2,2H3.
What are the key properties of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one?
2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one has a molecular weight of 235.29 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 103073144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).