N-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline

C13H14ClN3 — CID 104513471

IUPACN-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline
SMILESCCN(Cc1ccc(Cl)nn1)c1ccccc1
InChIInChI=1S/C13H14ClN3/c1-2-17(12-6-4-3-5-7-12)10-11-8-9-13(14)16-15-11/h3-9H,2,10H2,1H3
InChIKeyLWXYQKZQMPZGJY-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.16
Rot. Bonds4

About N-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline

N-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline (PubChem CID 104513471) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline
PubChem CID104513471
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline
SMILESCCN(Cc1ccc(Cl)nn1)c1ccccc1
InChIInChI=1S/C13H14ClN3/c1-2-17(12-6-4-3-5-7-12)10-11-8-9-13(14)16-15-11/h3-9H,2,10H2,1H3
InChIKeyLWXYQKZQMPZGJY-UHFFFAOYSA-N
XLogP3.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-[(6-chloro-4-ethylpyridazin-3-yl)methyl]-1-(2,3-difluorophenyl)-N-[(Z)-prop-1-enyl]but-1-en-1-amine
CID 142879977
(E)-N-[(6-chloro-4-ethylpyridazin-3-yl)methyl]-1-(3-fluorophenyl)-N-[(Z)-prop-1-enyl]but-1-en-1-amine
CID 142880007
3-Chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyridazine
CID 176238796
3-Chloro-6-[(3,3-difluoroazetidin-1-yl)methyl]pyridazine
CID 176238920
3-Chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine
CID 178171423
3-Chloro-6-(4-phenylpiperazin-1-yl)pyridazine
CID 13498852
6-Chloro-1,3-dimethylpyridazin-1-ium chloride
CID 12638403
3-Chloro-6-(6-methyl-2-pyridinyl)pyridazine
CID 15441763
2-(6-chloro-3-pyridazinyl)-N,N-diethylthio-acetamide
CID 129705128
2,5-dichloro-triazinyl-(N,N-diethylamino-)benzene
CID 129731763
N-[(6-chloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline
CID 79039406
N-[(6-chloro-2-pyridinyl)methyl]-N-ethyl-2-fluoroaniline
CID 79046171

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline (CID 104513471) is N-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline is CCN(Cc1ccc(Cl)nn1)c1ccccc1.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline?
The InChIKey is LWXYQKZQMPZGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-2-17(12-6-4-3-5-7-12)10-11-8-9-13(14)16-15-11/h3-9H,2,10H2,1H3.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline?
N-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline has a molecular weight of 247.73 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyridazin-3-yl)methyl]-N-ethylaniline is sourced from PubChem (CID 104513471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).