2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

C11H18N6O2 — CID 114396847

IUPAC2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(CCCN=[N+]=[N-])c(=O)c1
InChIInChI=1S/C11H18N6O2/c1-16(6-7-19-2)10-8-11(18)17(14-9-10)5-3-4-13-15-12/h8-9H,3-7H2,1-2H3
InChIKeyCSMKRBKNVVXPJT-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.03
Rot. Bonds8

About 2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 114396847) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
PubChem CID114396847
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(CCCN=[N+]=[N-])c(=O)c1
InChIInChI=1S/C11H18N6O2/c1-16(6-7-19-2)10-8-11(18)17(14-9-10)5-3-4-13-15-12/h8-9H,3-7H2,1-2H3
InChIKeyCSMKRBKNVVXPJT-UHFFFAOYSA-N
XLogP1.03
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid
CID 114393962
4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide
CID 114398501
2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396760
4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanethioamide
CID 114395807
2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114393723
2-[2-(2-chloroethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394318
5-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanenitrile
CID 114395684
2-[3-(cyclopropylamino)propyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394769
2-[2-(2-aminoethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103482433
2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114397564
2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394754
2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396159

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (CID 114396847) is 2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is COCCN(C)c1cnn(CCCN=[N+]=[N-])c(=O)c1.
What is the InChIKey of 2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is CSMKRBKNVVXPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-16(6-7-19-2)10-8-11(18)17(14-9-10)5-3-4-13-15-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 266.30 g/mol, XLogP of 1.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114396847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).