2-[3-(cyclopropylamino)propyl]-6-methoxypyridazin-3-one

C11H17N3O2 — CID 105061650

IUPAC2-[3-(cyclopropylamino)propyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCNC2CC2)n1
InChIInChI=1S/C11H17N3O2/c1-16-10-5-6-11(15)14(13-10)8-2-7-12-9-3-4-9/h5-6,9,12H,2-4,7-8H2,1H3
InChIKeyRGYOIMBWYTUZTH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.39
Rot. Bonds6

About 2-[3-(cyclopropylamino)propyl]-6-methoxypyridazin-3-one

2-[3-(cyclopropylamino)propyl]-6-methoxypyridazin-3-one (PubChem CID 105061650) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)propyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)propyl]-6-methoxypyridazin-3-one
PubChem CID105061650
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[3-(cyclopropylamino)propyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCNC2CC2)n1
InChIInChI=1S/C11H17N3O2/c1-16-10-5-6-11(15)14(13-10)8-2-7-12-9-3-4-9/h5-6,9,12H,2-4,7-8H2,1H3
InChIKeyRGYOIMBWYTUZTH-UHFFFAOYSA-N
XLogP0.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[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 2-[3-(cyclopropylamino)propyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[3-(cyclopropylamino)propyl]-6-methoxypyridazin-3-one (CID 105061650) is 2-[3-(cyclopropylamino)propyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[3-(cyclopropylamino)propyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[3-(cyclopropylamino)propyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCCNC2CC2)n1.
What is the InChIKey of 2-[3-(cyclopropylamino)propyl]-6-methoxypyridazin-3-one?
The InChIKey is RGYOIMBWYTUZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-10-5-6-11(15)14(13-10)8-2-7-12-9-3-4-9/h5-6,9,12H,2-4,7-8H2,1H3.
What are the key properties of 2-[3-(cyclopropylamino)propyl]-6-methoxypyridazin-3-one?
2-[3-(cyclopropylamino)propyl]-6-methoxypyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)propyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).