5-(2-azidoethyl)-2,6-diphenylpyridazin-3-one

C18H15N5O — CID 118949747

IUPAC5-(2-azidoethyl)-2,6-diphenylpyridazin-3-one
SMILES[N-]=[N+]=NCCc1cc(=O)n(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H15N5O/c19-22-20-12-11-15-13-17(24)23(16-9-5-2-6-10-16)21-18(15)14-7-3-1-4-8-14/h1-10,13H,11-12H2
InChIKeyLUWFPFFHWRIJCE-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.75
Rot. Bonds5

About 5-(2-azidoethyl)-2,6-diphenylpyridazin-3-one

5-(2-azidoethyl)-2,6-diphenylpyridazin-3-one (PubChem CID 118949747) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-(2-azidoethyl)-2,6-diphenylpyridazin-3-one.

Molecular Properties

Compound Name5-(2-azidoethyl)-2,6-diphenylpyridazin-3-one
PubChem CID118949747
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name5-(2-azidoethyl)-2,6-diphenylpyridazin-3-one
SMILES[N-]=[N+]=NCCc1cc(=O)n(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H15N5O/c19-22-20-12-11-15-13-17(24)23(16-9-5-2-6-10-16)21-18(15)14-7-3-1-4-8-14/h1-10,13H,11-12H2
InChIKeyLUWFPFFHWRIJCE-UHFFFAOYSA-N
XLogP3.75
TPSA83.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 5-(2-azidoethyl)-2,6-diphenylpyridazin-3-one?
The IUPAC name of 5-(2-azidoethyl)-2,6-diphenylpyridazin-3-one (CID 118949747) is 5-(2-azidoethyl)-2,6-diphenylpyridazin-3-one.
What is the SMILES notation for 5-(2-azidoethyl)-2,6-diphenylpyridazin-3-one?
The canonical SMILES for 5-(2-azidoethyl)-2,6-diphenylpyridazin-3-one is [N-]=[N+]=NCCc1cc(=O)n(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 5-(2-azidoethyl)-2,6-diphenylpyridazin-3-one?
The InChIKey is LUWFPFFHWRIJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c19-22-20-12-11-15-13-17(24)23(16-9-5-2-6-10-16)21-18(15)14-7-3-1-4-8-14/h1-10,13H,11-12H2.
What are the key properties of 5-(2-azidoethyl)-2,6-diphenylpyridazin-3-one?
5-(2-azidoethyl)-2,6-diphenylpyridazin-3-one has a molecular weight of 317.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azidoethyl)-2,6-diphenylpyridazin-3-one is sourced from PubChem (CID 118949747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).