3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol

C13H15N3O — CID 29133545

IUPAC3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol
SMILESOCCCNc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C13H15N3O/c17-10-4-9-14-13-8-7-12(15-16-13)11-5-2-1-3-6-11/h1-3,5-8,17H,4,9-10H2,(H,14,16)
InChIKeyQFTDSGZEQZXODO-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.94
Rot. Bonds5

About 3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol

3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol (PubChem CID 29133545) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol
PubChem CID29133545
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol
SMILESOCCCNc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C13H15N3O/c17-10-4-9-14-13-8-7-12(15-16-13)11-5-2-1-3-6-11/h1-3,5-8,17H,4,9-10H2,(H,14,16)
InChIKeyQFTDSGZEQZXODO-UHFFFAOYSA-N
XLogP1.94
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol?
The IUPAC name of 3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol (CID 29133545) is 3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol is OCCCNc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol?
The InChIKey is QFTDSGZEQZXODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-10-4-9-14-13-8-7-12(15-16-13)11-5-2-1-3-6-11/h1-3,5-8,17H,4,9-10H2,(H,14,16).
What are the key properties of 3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol?
3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol has a molecular weight of 229.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol is sourced from PubChem (CID 29133545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).