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

C14H17N3O — CID 116971327

IUPAC3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol
SMILESCc1cccc(-c2ccc(NCCCO)nn2)c1
InChIInChI=1S/C14H17N3O/c1-11-4-2-5-12(10-11)13-6-7-14(17-16-13)15-8-3-9-18/h2,4-7,10,18H,3,8-9H2,1H3,(H,15,17)
InChIKeyXDKRNLOMXZUSMU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.25
Rot. Bonds5

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

3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol (PubChem CID 116971327) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol
PubChem CID116971327
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol
SMILESCc1cccc(-c2ccc(NCCCO)nn2)c1
InChIInChI=1S/C14H17N3O/c1-11-4-2-5-12(10-11)13-6-7-14(17-16-13)15-8-3-9-18/h2,4-7,10,18H,3,8-9H2,1H3,(H,15,17)
InChIKeyXDKRNLOMXZUSMU-UHFFFAOYSA-N
XLogP2.25
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol 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

N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine
CID 116970734
3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 29133545
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
CID 25219798
6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine
CID 123702165
N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776950
3-[[6-(3-methoxyphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116971959
2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid
CID 116971543
N'-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylethane-1,2-diamine
CID 116970458
N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 62201435
N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776980
N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778643
2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol
CID 116971250

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol?
The IUPAC name of 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol (CID 116971327) is 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol is Cc1cccc(-c2ccc(NCCCO)nn2)c1.
What is the InChIKey of 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol?
The InChIKey is XDKRNLOMXZUSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-4-2-5-12(10-11)13-6-7-14(17-16-13)15-8-3-9-18/h2,4-7,10,18H,3,8-9H2,1H3,(H,15,17).
What are the key properties of 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol?
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol has a molecular weight of 243.31 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol is sourced from PubChem (CID 116971327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).