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

C11H18ClN3O — CID 104513659

IUPACN-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
SMILESCCN(Cc1ccc(Cl)nn1)C(C)COC
InChIInChI=1S/C11H18ClN3O/c1-4-15(9(2)8-16-3)7-10-5-6-11(12)14-13-10/h5-6,9H,4,7-8H2,1-3H3
InChIKeyDCVXOSNTGPLUMR-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.99
Rot. Bonds6

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

N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine (PubChem CID 104513659) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
PubChem CID104513659
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
SMILESCCN(Cc1ccc(Cl)nn1)C(C)COC
InChIInChI=1S/C11H18ClN3O/c1-4-15(9(2)8-16-3)7-10-5-6-11(12)14-13-10/h5-6,9H,4,7-8H2,1-3H3
InChIKeyDCVXOSNTGPLUMR-UHFFFAOYSA-N
XLogP1.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyridazine
CID 176238796
3-Chloro-6-[(3-fluoro-3-methylazetidin-1-yl)methyl]pyridazine
CID 178171423
N-[(6-chloropyridazin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 104513554
N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 104513658
N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 104513662
N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 104513663
N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 104513664
N-[(6-chloropyridazin-3-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 104513769
2-[(6-Chloropyridazin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107479149
2-[(6-Chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107479168
N-[(6-chloropyridazin-3-yl)methyl]-2,2-difluoro-N-methylethanamine
CID 116314799
3-Chloro-6-[(5-fluoro-1,2,3,6-tetrahydropyridin-1-yl)methyl]pyridazine
CID 126830546

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine (CID 104513659) is N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine is CCN(Cc1ccc(Cl)nn1)C(C)COC.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine?
The InChIKey is DCVXOSNTGPLUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-15(9(2)8-16-3)7-10-5-6-11(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-1-methoxypropan-2-amine?
N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine has a molecular weight of 243.74 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-1-methoxypropan-2-amine is sourced from PubChem (CID 104513659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).