6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one

C8H13N3O2 — CID 82442484

IUPAC6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(CN)ccc1=O
InChIInChI=1S/C8H13N3O2/c1-13-5-4-11-8(12)3-2-7(6-9)10-11/h2-3H,4-6,9H2,1H3
InChIKeyOZVVDFKTXMQTID-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.65
Rot. Bonds4

About 6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one

6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 82442484) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID82442484
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(CN)ccc1=O
InChIInChI=1S/C8H13N3O2/c1-13-5-4-11-8(12)3-2-7(6-9)10-11/h2-3H,4-6,9H2,1H3
InChIKeyOZVVDFKTXMQTID-UHFFFAOYSA-N
XLogP-0.65
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82442478
3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid
CID 82442528
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]oxyacetic acid
CID 63930762
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 106672046
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
tert-butyl N-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]carbamate
CID 162363860
N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837
N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24537228
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 62818105

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one (CID 82442484) is 6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one is COCCn1nc(CN)ccc1=O.
What is the InChIKey of 6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is OZVVDFKTXMQTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-13-5-4-11-8(12)3-2-7(6-9)10-11/h2-3H,4-6,9H2,1H3.
What are the key properties of 6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one?
6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 183.21 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 82442484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).