1-naphthalen-2-yl-2-(pyridazin-3-ylmethylamino)ethanol

C17H17N3O — CID 106895714

IUPAC1-naphthalen-2-yl-2-(pyridazin-3-ylmethylamino)ethanol
SMILESOC(CNCc1cccnn1)c1ccc2ccccc2c1
InChIInChI=1S/C17H17N3O/c21-17(12-18-11-16-6-3-9-19-20-16)15-8-7-13-4-1-2-5-14(13)10-15/h1-10,17-18,21H,11-12H2
InChIKeyXCZJVDHCIMVRLQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.45
Rot. Bonds5

About 1-naphthalen-2-yl-2-(pyridazin-3-ylmethylamino)ethanol

1-naphthalen-2-yl-2-(pyridazin-3-ylmethylamino)ethanol (PubChem CID 106895714) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-(pyridazin-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-(pyridazin-3-ylmethylamino)ethanol
PubChem CID106895714
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-naphthalen-2-yl-2-(pyridazin-3-ylmethylamino)ethanol
SMILESOC(CNCc1cccnn1)c1ccc2ccccc2c1
InChIInChI=1S/C17H17N3O/c21-17(12-18-11-16-6-3-9-19-20-16)15-8-7-13-4-1-2-5-14(13)10-15/h1-10,17-18,21H,11-12H2
InChIKeyXCZJVDHCIMVRLQ-UHFFFAOYSA-N
XLogP2.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-(benzylamino)-1-naphthalen-2-ylethanol
CID 93383727
(1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol
CID 112742140
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol
CID 60909589
2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol
CID 61167220
2-(2-methoxyethylamino)-1-naphthalen-2-ylethanol
CID 60903871
5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide
CID 106237033
1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol
CID 78954160
2-(2-cyclopropylpropylamino)-1-naphthalen-2-ylethanol
CID 115591800
2-(cyclohexylmethylamino)-1-naphthalen-2-ylethanol
CID 60901818
4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380825
2-(2,2-dimethylhydrazinyl)-1-naphthalen-2-ylethanol
CID 83014779
2-methyl-3-(pyridazin-3-ylmethylamino)propanamide
CID 106895597

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-(pyridazin-3-ylmethylamino)ethanol?
The IUPAC name of 1-naphthalen-2-yl-2-(pyridazin-3-ylmethylamino)ethanol (CID 106895714) is 1-naphthalen-2-yl-2-(pyridazin-3-ylmethylamino)ethanol.
What is the SMILES notation for 1-naphthalen-2-yl-2-(pyridazin-3-ylmethylamino)ethanol?
The canonical SMILES for 1-naphthalen-2-yl-2-(pyridazin-3-ylmethylamino)ethanol is OC(CNCc1cccnn1)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-2-(pyridazin-3-ylmethylamino)ethanol?
The InChIKey is XCZJVDHCIMVRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-17(12-18-11-16-6-3-9-19-20-16)15-8-7-13-4-1-2-5-14(13)10-15/h1-10,17-18,21H,11-12H2.
What are the key properties of 1-naphthalen-2-yl-2-(pyridazin-3-ylmethylamino)ethanol?
1-naphthalen-2-yl-2-(pyridazin-3-ylmethylamino)ethanol has a molecular weight of 279.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-(pyridazin-3-ylmethylamino)ethanol is sourced from PubChem (CID 106895714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).