N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine

C11H18ClN3 — CID 104513518

IUPACN-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCN(Cc1ccc(Cl)nn1)CC(C)C
InChIInChI=1S/C11H18ClN3/c1-4-15(7-9(2)3)8-10-5-6-11(12)14-13-10/h5-6,9H,4,7-8H2,1-3H3
InChIKeyUALNLQNSLXTBAM-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.61
Rot. Bonds5

About N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine

N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine (PubChem CID 104513518) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine
PubChem CID104513518
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCN(Cc1ccc(Cl)nn1)CC(C)C
InChIInChI=1S/C11H18ClN3/c1-4-15(7-9(2)3)8-10-5-6-11(12)14-13-10/h5-6,9H,4,7-8H2,1-3H3
InChIKeyUALNLQNSLXTBAM-UHFFFAOYSA-N
XLogP2.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-6-methylpyridazine
CID 227254
3-Chloro-6-(propan-2-yl)pyridazine
CID 17804555
3-Chloro-6-ethylpyridazine
CID 20539495
(6-Chloropyridazin-3-YL)methanamine
CID 22216883
(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
6-Chloro-1,3-dimethylpyridazin-1-ium chloride
CID 12638403
2-(6-chloro-3-pyridazinyl)-N,N-diethylthio-acetamide
CID 129705128
N-[(6-chloropyridazin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 104513498

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine (CID 104513518) is N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine is CCN(Cc1ccc(Cl)nn1)CC(C)C.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine?
The InChIKey is UALNLQNSLXTBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-4-15(7-9(2)3)8-10-5-6-11(12)14-13-10/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine?
N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2-methylpropan-1-amine has a molecular weight of 227.74 g/mol, XLogP of 2.61, 5 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-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 104513518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).