4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol

C13H15N3O — CID 106895349

IUPAC4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol
SMILESCC(NCc1cccnn1)c1ccc(O)cc1
InChIInChI=1S/C13H15N3O/c1-10(11-4-6-13(17)7-5-11)14-9-12-3-2-8-15-16-12/h2-8,10,14,17H,9H2,1H3
InChIKeyOTCFVHLWDDVRDR-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.03
Rot. Bonds4

About 4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol

4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol (PubChem CID 106895349) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol
PubChem CID106895349
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol
SMILESCC(NCc1cccnn1)c1ccc(O)cc1
InChIInChI=1S/C13H15N3O/c1-10(11-4-6-13(17)7-5-11)14-9-12-3-2-8-15-16-12/h2-8,10,14,17H,9H2,1H3
InChIKeyOTCFVHLWDDVRDR-UHFFFAOYSA-N
XLogP2.03
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895169
4-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
CID 81170192
4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol
CID 64547217
1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895025
1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 107094366
1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895134
6-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]pyridin-3-ol
CID 81405183
1,1-diphenyl-N-(pyridazin-3-ylmethyl)methanamine
CID 106895014
4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol
CID 54896086
1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895273
1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895275
N-(pyridazin-3-ylmethyl)heptan-2-amine
CID 106895304

Frequently Asked Questions

What is the IUPAC name of 4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol?
The IUPAC name of 4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol (CID 106895349) is 4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol.
What is the SMILES notation for 4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol?
The canonical SMILES for 4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol is CC(NCc1cccnn1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol?
The InChIKey is OTCFVHLWDDVRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10(11-4-6-13(17)7-5-11)14-9-12-3-2-8-15-16-12/h2-8,10,14,17H,9H2,1H3.
What are the key properties of 4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol?
4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol has a molecular weight of 229.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol is sourced from PubChem (CID 106895349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).