2-(5-aminopentyl)-6-methoxypyridazin-3-one

C10H17N3O2 — CID 105061512

IUPAC2-(5-aminopentyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCCCN)n1
InChIInChI=1S/C10H17N3O2/c1-15-9-5-6-10(14)13(12-9)8-4-2-3-7-11/h5-6H,2-4,7-8,11H2,1H3
InChIKeyFZUYBGLIQUOIPJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.38
Rot. Bonds6

About 2-(5-aminopentyl)-6-methoxypyridazin-3-one

2-(5-aminopentyl)-6-methoxypyridazin-3-one (PubChem CID 105061512) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(5-aminopentyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(5-aminopentyl)-6-methoxypyridazin-3-one
PubChem CID105061512
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(5-aminopentyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCCCN)n1
InChIInChI=1S/C10H17N3O2/c1-15-9-5-6-10(14)13(12-9)8-4-2-3-7-11/h5-6H,2-4,7-8,11H2,1H3
InChIKeyFZUYBGLIQUOIPJ-UHFFFAOYSA-N
XLogP0.38
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.38
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

6-Methoxy-2-propylpyridazin-3-one
CID 131085900
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-(2-Aminoethoxy)ethyl]-6-methoxypyridazin-3-one
CID 103482444
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
2-(3-Aminopropyl)-6-methoxypyridazin-3-one
CID 105061504

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopentyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(5-aminopentyl)-6-methoxypyridazin-3-one (CID 105061512) is 2-(5-aminopentyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(5-aminopentyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(5-aminopentyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCCCCN)n1.
What is the InChIKey of 2-(5-aminopentyl)-6-methoxypyridazin-3-one?
The InChIKey is FZUYBGLIQUOIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-15-9-5-6-10(14)13(12-9)8-4-2-3-7-11/h5-6H,2-4,7-8,11H2,1H3.
What are the key properties of 2-(5-aminopentyl)-6-methoxypyridazin-3-one?
2-(5-aminopentyl)-6-methoxypyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopentyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).