4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol;hydrochloride

C15H20ClN3O — CID 6410638

IUPAC4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol;hydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCCCO.Cl
InChIInChI=1S/C15H19N3O.ClH/c1-12-11-14(13-7-3-2-4-8-13)17-18-15(12)16-9-5-6-10-19;/h2-4,7-8,11,19H,5-6,9-10H2,1H3,(H,16,18);1H
InChIKeyNWUDASIJZNDHMN-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.06
Rot. Bonds6

About 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol;hydrochloride

4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol;hydrochloride (PubChem CID 6410638) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol;hydrochloride
PubChem CID6410638
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol;hydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCCCO.Cl
InChIInChI=1S/C15H19N3O.ClH/c1-12-11-14(13-7-3-2-4-8-13)17-18-15(12)16-9-5-6-10-19;/h2-4,7-8,11,19H,5-6,9-10H2,1H3,(H,16,18);1H
InChIKeyNWUDASIJZNDHMN-UHFFFAOYSA-N
XLogP3.06
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol;hydrochloride?
The IUPAC name of 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol;hydrochloride (CID 6410638) is 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol;hydrochloride.
What is the SMILES notation for 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol;hydrochloride?
The canonical SMILES for 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol;hydrochloride is Cc1cc(-c2ccccc2)nnc1NCCCCO.Cl.
What is the InChIKey of 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol;hydrochloride?
The InChIKey is NWUDASIJZNDHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.ClH/c1-12-11-14(13-7-3-2-4-8-13)17-18-15(12)16-9-5-6-10-19;/h2-4,7-8,11,19H,5-6,9-10H2,1H3,(H,16,18);1H.
What are the key properties of 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol;hydrochloride?
4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol;hydrochloride is sourced from PubChem (CID 6410638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).