6-methoxy-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one

C11H19N3O2 — CID 105061625

IUPAC6-methoxy-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
SMILESCOc1ccc(=O)n(CCCNC(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-9(2)12-7-4-8-14-11(15)6-5-10(13-14)16-3/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyNQEYABPOWSCTBO-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.64
Rot. Bonds6

About 6-methoxy-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one

6-methoxy-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one (PubChem CID 105061625) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-methoxy-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
PubChem CID105061625
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name6-methoxy-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
SMILESCOc1ccc(=O)n(CCCNC(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-9(2)12-7-4-8-14-11(15)6-5-10(13-14)16-3/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyNQEYABPOWSCTBO-UHFFFAOYSA-N
XLogP0.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.64
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-(3-Amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one
CID 105061442
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-6-methoxypyridazin-3-one
CID 113807420
6-Methoxy-2-propylpyridazin-3-one
CID 131085900
2-[3-(Propan-2-ylamino)propyl]pyridazin-3-one
CID 62849785
6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819960
6-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819961
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-Aminoethyl)-6-methoxypyridazin-3-one
CID 105061489

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one?
The IUPAC name of 6-methoxy-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one (CID 105061625) is 6-methoxy-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one is COc1ccc(=O)n(CCCNC(C)C)n1.
What is the InChIKey of 6-methoxy-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one?
The InChIKey is NQEYABPOWSCTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(2)12-7-4-8-14-11(15)6-5-10(13-14)16-3/h5-6,9,12H,4,7-8H2,1-3H3.
What are the key properties of 6-methoxy-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one?
6-methoxy-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one is sourced from PubChem (CID 105061625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).