1-oxido-3-phenylmethoxypyridazin-1-ium

C11H10N2O2 — CID 121216960

IUPAC1-oxido-3-phenylmethoxypyridazin-1-ium
SMILES[O-][n+]1cccc(OCc2ccccc2)n1
InChIInChI=1S/C11H10N2O2/c14-13-8-4-7-11(12-13)15-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyMZEFFWRVQBAJDS-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.29
Rot. Bonds3

About 1-oxido-3-phenylmethoxypyridazin-1-ium

1-oxido-3-phenylmethoxypyridazin-1-ium (PubChem CID 121216960) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-oxido-3-phenylmethoxypyridazin-1-ium.

Molecular Properties

Compound Name1-oxido-3-phenylmethoxypyridazin-1-ium
PubChem CID121216960
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name1-oxido-3-phenylmethoxypyridazin-1-ium
SMILES[O-][n+]1cccc(OCc2ccccc2)n1
InChIInChI=1S/C11H10N2O2/c14-13-8-4-7-11(12-13)15-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyMZEFFWRVQBAJDS-UHFFFAOYSA-N
XLogP1.29
TPSA49.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-oxido-3-phenylmethoxypyridazin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-bis(phenylmethoxy)pyridazine
CID 68982842
3-ethyl-1-oxido-5-phenylmethoxypyrazin-1-ium
CID 53468283
2-(chloromethyl)-6-phenylmethoxypyridine
CID 21193174
2-bromo-5-phenylmethoxypyrazine
CID 46738200
2-methyl-5-phenylmethoxypyrazine
CID 129054090
2-chloro-1-cyclopropyl-3-phenylmethoxypyridin-1-ium
CID 150047409
2-iodo-1-oxido-4-phenylmethoxypyridin-1-ium
CID 102392029
(6-phenylmethoxypyridazin-3-yl)methanamine
CID 62291717
5-deuterio-3-phenylmethoxy-1,2-thiazole
CID 11019693
6-phenylmethoxypyridine-2,3-diamine
CID 67311804
methyl 1-oxido-3-phenylmethoxypyridin-1-ium-2-carboxylate
CID 15239991
2-iodo-5-phenylmethoxypyrimidine
CID 153056979

Frequently Asked Questions

What is the IUPAC name of 1-oxido-3-phenylmethoxypyridazin-1-ium?
The IUPAC name of 1-oxido-3-phenylmethoxypyridazin-1-ium (CID 121216960) is 1-oxido-3-phenylmethoxypyridazin-1-ium.
What is the SMILES notation for 1-oxido-3-phenylmethoxypyridazin-1-ium?
The canonical SMILES for 1-oxido-3-phenylmethoxypyridazin-1-ium is [O-][n+]1cccc(OCc2ccccc2)n1.
What is the InChIKey of 1-oxido-3-phenylmethoxypyridazin-1-ium?
The InChIKey is MZEFFWRVQBAJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-13-8-4-7-11(12-13)15-9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 1-oxido-3-phenylmethoxypyridazin-1-ium?
1-oxido-3-phenylmethoxypyridazin-1-ium has a molecular weight of 202.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-3-phenylmethoxypyridazin-1-ium is sourced from PubChem (CID 121216960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).