3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol

C12H16N4O — CID 116973670

IUPAC3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol
SMILESCN(CCCO)c1ccc(-c2cc[nH]c2)nn1
InChIInChI=1S/C12H16N4O/c1-16(7-2-8-17)12-4-3-11(14-15-12)10-5-6-13-9-10/h3-6,9,13,17H,2,7-8H2,1H3
InChIKeyHARRABXUJKZLLS-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.29
Rot. Bonds5

About 3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol

3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol (PubChem CID 116973670) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol
PubChem CID116973670
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol
SMILESCN(CCCO)c1ccc(-c2cc[nH]c2)nn1
InChIInChI=1S/C12H16N4O/c1-16(7-2-8-17)12-4-3-11(14-15-12)10-5-6-13-9-10/h3-6,9,13,17H,2,7-8H2,1H3
InChIKeyHARRABXUJKZLLS-UHFFFAOYSA-N
XLogP1.29
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol
CID 116973631
3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol
CID 116973666
3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 116973664
1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine
CID 116973472
1-N-methyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]propane-1,2-diamine
CID 116973327
3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol
CID 116973681
N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine
CID 116973442
N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine
CID 116973443
2-[methyl-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]amino]ethanol
CID 116977678
3-[methyl(pyridin-2-yl)amino]propan-1-ol
CID 57466357
2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol
CID 116973651
3-[methyl-[6-(4-methylphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116973930

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol?
The IUPAC name of 3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol (CID 116973670) is 3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol?
The canonical SMILES for 3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol is CN(CCCO)c1ccc(-c2cc[nH]c2)nn1.
What is the InChIKey of 3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol?
The InChIKey is HARRABXUJKZLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16(7-2-8-17)12-4-3-11(14-15-12)10-5-6-13-9-10/h3-6,9,13,17H,2,7-8H2,1H3.
What are the key properties of 3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol?
3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol has a molecular weight of 232.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol is sourced from PubChem (CID 116973670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).