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

C14H17N3O — CID 116973664

IUPAC3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol
SMILESCN(CCCO)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C14H17N3O/c1-17(10-5-11-18)14-9-8-13(15-16-14)12-6-3-2-4-7-12/h2-4,6-9,18H,5,10-11H2,1H3
InChIKeyKQFGCXXIWNIREQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.96
Rot. Bonds5

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

3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol (PubChem CID 116973664) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol
PubChem CID116973664
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol
SMILESCN(CCCO)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C14H17N3O/c1-17(10-5-11-18)14-9-8-13(15-16-14)12-6-3-2-4-7-12/h2-4,6-9,18H,5,10-11H2,1H3
InChIKeyKQFGCXXIWNIREQ-UHFFFAOYSA-N
XLogP1.96
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol
CID 116973666
3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol
CID 116973670
3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol
CID 116973681
1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine
CID 116973321
N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine
CID 116973442
3-[methyl(pyridin-2-yl)amino]propan-1-ol
CID 57466357
2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol
CID 116973631
2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol
CID 116973651
4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
N-ethyl-6-phenyl-N-(2-pyrazol-1-ylethyl)pyridazin-3-amine
CID 134706886
N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 116973263
3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116973930

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol?
The IUPAC name of 3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol (CID 116973664) is 3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol?
The canonical SMILES for 3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol is CN(CCCO)c1ccc(-c2ccccc2)nn1.
What is the InChIKey of 3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol?
The InChIKey is KQFGCXXIWNIREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(10-5-11-18)14-9-8-13(15-16-14)12-6-3-2-4-7-12/h2-4,6-9,18H,5,10-11H2,1H3.
What are the key properties of 3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol?
3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol has a molecular weight of 243.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol is sourced from PubChem (CID 116973664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).