[4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol

C13H15N3O — CID 106895571

IUPAC[4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNCc2cccnn2)cc1
InChIInChI=1S/C13H15N3O/c17-10-12-5-3-11(4-6-12)8-14-9-13-2-1-7-15-16-13/h1-7,14,17H,8-10H2
InChIKeyXKUMEHISQXTSDG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.26
Rot. Bonds5

About [4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol

[4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol (PubChem CID 106895571) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol
PubChem CID106895571
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNCc2cccnn2)cc1
InChIInChI=1S/C13H15N3O/c17-10-12-5-3-11(4-6-12)8-14-9-13-2-1-7-15-16-13/h1-7,14,17H,8-10H2
InChIKeyXKUMEHISQXTSDG-UHFFFAOYSA-N
XLogP1.26
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-[(pyridazin-3-ylmethylamino)methyl]phenol
CID 106894985
N-(pyridazin-3-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 106834163
2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide
CID 106833902
N-(pyridazin-3-ylmethyl)formamide
CID 23498776
[4-[[(6-methoxy-2-pyridinyl)methylamino]methyl]phenyl]methanol
CID 107230279
1-(4-methyl-3-nitrophenyl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106834213
1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106833951
1-benzyl-3-(pyridazin-3-ylmethyl)urea
CID 106831656
N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide
CID 106896370
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895919
4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895580
1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106834067

Frequently Asked Questions

What is the IUPAC name of [4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol?
The IUPAC name of [4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol (CID 106895571) is [4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol is OCc1ccc(CNCc2cccnn2)cc1.
What is the InChIKey of [4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol?
The InChIKey is XKUMEHISQXTSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-10-12-5-3-11(4-6-12)8-14-9-13-2-1-7-15-16-13/h1-7,14,17H,8-10H2.
What are the key properties of [4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol?
[4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol has a molecular weight of 229.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol is sourced from PubChem (CID 106895571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).