2-(2-azidoethyl)-6-methoxypyridazin-3-one

C7H9N5O2 — CID 105061962

IUPAC2-(2-azidoethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCN=[N+]=[N-])n1
InChIInChI=1S/C7H9N5O2/c1-14-6-2-3-7(13)12(10-6)5-4-9-11-8/h2-3H,4-5H2,1H3
InChIKeyGFSKJSZQRBFZTL-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.56
Rot. Bonds4

About 2-(2-azidoethyl)-6-methoxypyridazin-3-one

2-(2-azidoethyl)-6-methoxypyridazin-3-one (PubChem CID 105061962) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-(2-azidoethyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(2-azidoethyl)-6-methoxypyridazin-3-one
PubChem CID105061962
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name2-(2-azidoethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCN=[N+]=[N-])n1
InChIInChI=1S/C7H9N5O2/c1-14-6-2-3-7(13)12(10-6)5-4-9-11-8/h2-3H,4-5H2,1H3
InChIKeyGFSKJSZQRBFZTL-UHFFFAOYSA-N
XLogP0.56
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-Methyl-3-methoxy-6-pyridazone
CID 96429
2-Allyl-6-allyloxy-3-pyridazone
CID 12843594
2-(2,2-Difluoroethyl)-6-methoxypyridazin-3-one
CID 130627801
2-(2-Cyanoethyl)-2,3-dihydro-6-methoxy-3-oxopyridazine
CID 587495
6-Methoxy-2-propylpyridazin-3-one
CID 131085900
Trimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium
CID 3380577
2-(2-Aminoethyl)-6-methoxypyridazin-3-one
CID 105061489
2-(2-Bromoethyl)-6-methoxypyridazin-3-one
CID 105061600
2-[2-(Ethylamino)ethyl]-6-methoxypyridazin-3-one
CID 105061618
6-Methoxy-2-[2-(methylamino)ethyl]pyridazin-3-one
CID 105061672
2-(3-Methoxy-6-oxopyridazin-1-yl)acetonitrile
CID 105061767
2-(3-Methoxy-6-oxopyridazin-1-yl)acetaldehyde
CID 105061906

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(2-azidoethyl)-6-methoxypyridazin-3-one (CID 105061962) is 2-(2-azidoethyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(2-azidoethyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(2-azidoethyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCN=[N+]=[N-])n1.
What is the InChIKey of 2-(2-azidoethyl)-6-methoxypyridazin-3-one?
The InChIKey is GFSKJSZQRBFZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-14-6-2-3-7(13)12(10-6)5-4-9-11-8/h2-3H,4-5H2,1H3.
What are the key properties of 2-(2-azidoethyl)-6-methoxypyridazin-3-one?
2-(2-azidoethyl)-6-methoxypyridazin-3-one has a molecular weight of 195.18 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).