2-(4-aminopentyl)-6-methoxypyridazin-3-one

C10H17N3O2 — CID 105061712

IUPAC2-(4-aminopentyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCC(C)N)n1
InChIInChI=1S/C10H17N3O2/c1-8(11)4-3-7-13-10(14)6-5-9(12-13)15-2/h5-6,8H,3-4,7,11H2,1-2H3
InChIKeyAQLZYLBWHJQBAK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.38
Rot. Bonds5

About 2-(4-aminopentyl)-6-methoxypyridazin-3-one

2-(4-aminopentyl)-6-methoxypyridazin-3-one (PubChem CID 105061712) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(4-aminopentyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(4-aminopentyl)-6-methoxypyridazin-3-one
PubChem CID105061712
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(4-aminopentyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCC(C)N)n1
InChIInChI=1S/C10H17N3O2/c1-8(11)4-3-7-13-10(14)6-5-9(12-13)15-2/h5-6,8H,3-4,7,11H2,1-2H3
InChIKeyAQLZYLBWHJQBAK-UHFFFAOYSA-N
XLogP0.38
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

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Related Compounds

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-(Ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073141
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
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
2-(3-Amino-2-methylpropyl)-6-methoxypyridazin-3-one
CID 105061509
2-(5-Aminopentyl)-6-methoxypyridazin-3-one
CID 105061512
2-[[1-(2-Aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one
CID 105061513

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopentyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(4-aminopentyl)-6-methoxypyridazin-3-one (CID 105061712) is 2-(4-aminopentyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(4-aminopentyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(4-aminopentyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCCC(C)N)n1.
What is the InChIKey of 2-(4-aminopentyl)-6-methoxypyridazin-3-one?
The InChIKey is AQLZYLBWHJQBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(11)4-3-7-13-10(14)6-5-9(12-13)15-2/h5-6,8H,3-4,7,11H2,1-2H3.
What are the key properties of 2-(4-aminopentyl)-6-methoxypyridazin-3-one?
2-(4-aminopentyl)-6-methoxypyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopentyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).