2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one

C12H18N6O2 — CID 114396859

IUPAC2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn(CCN=[N+]=[N-])c(=O)c2)CC1
InChIInChI=1S/C12H18N6O2/c1-20-11-2-5-17(6-3-11)10-8-12(19)18(15-9-10)7-4-14-16-13/h8-9,11H,2-7H2,1H3
InChIKeyXLSQWIDGBBPGCR-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.17
Rot. Bonds5

About 2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one

2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one (PubChem CID 114396859) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
PubChem CID114396859
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn(CCN=[N+]=[N-])c(=O)c2)CC1
InChIInChI=1S/C12H18N6O2/c1-20-11-2-5-17(6-3-11)10-8-12(19)18(15-9-10)7-4-14-16-13/h8-9,11H,2-7H2,1H3
InChIKeyXLSQWIDGBBPGCR-UHFFFAOYSA-N
XLogP1.17
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

potassium trifluoro-[[4-(4-methoxypiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398775
2-[2-(chloromethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
CID 103065891
2-(3-hydroxybutyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114396739
2-(3-bromopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114394487
5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one
CID 114395969
methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate
CID 114394179
2-(3-amino-2-methylpropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114393796
2-[(2R)-2-aminopropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 104920927
2-(5-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114397171
2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 114394188
5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819951
propan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate
CID 114394176

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one (CID 114396859) is 2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one is COC1CCN(c2cnn(CCN=[N+]=[N-])c(=O)c2)CC1.
What is the InChIKey of 2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The InChIKey is XLSQWIDGBBPGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-20-11-2-5-17(6-3-11)10-8-12(19)18(15-9-10)7-4-14-16-13/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one has a molecular weight of 278.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 114396859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).