3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol

C14H16FN3O — CID 116973666

IUPAC3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol
SMILESCN(CCCO)c1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C14H16FN3O/c1-18(9-2-10-19)14-8-7-13(16-17-14)11-3-5-12(15)6-4-11/h3-8,19H,2,9-10H2,1H3
InChIKeyBYHCPHCATXALGO-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.10
Rot. Bonds5

About 3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol

3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol (PubChem CID 116973666) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol
PubChem CID116973666
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol
SMILESCN(CCCO)c1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C14H16FN3O/c1-18(9-2-10-19)14-8-7-13(16-17-14)11-3-5-12(15)6-4-11/h3-8,19H,2,9-10H2,1H3
InChIKeyBYHCPHCATXALGO-UHFFFAOYSA-N
XLogP2.10
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 116973664
3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol
CID 116973670
N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine
CID 116973442
3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol
CID 116973681
2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol
CID 116973631
6-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-amine
CID 133463316
3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116973930
1-[ethyl-[6-(4-fluorophenyl)pyridazin-3-yl]amino]-2-methylpropan-2-ol
CID 133314515
N'-[6-(4-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
CID 116973243
N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine
CID 133324440
3-[methyl(pyridin-2-yl)amino]propan-1-ol
CID 57466357
N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine
CID 116973443

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol?
The IUPAC name of 3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol (CID 116973666) is 3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol?
The canonical SMILES for 3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol is CN(CCCO)c1ccc(-c2ccc(F)cc2)nn1.
What is the InChIKey of 3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol?
The InChIKey is BYHCPHCATXALGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-18(9-2-10-19)14-8-7-13(16-17-14)11-3-5-12(15)6-4-11/h3-8,19H,2,9-10H2,1H3.
What are the key properties of 3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol?
3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol has a molecular weight of 261.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 116973666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).