4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine

C11H16ClN3O — CID 104513534

IUPAC4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine
SMILESCCC1CN(Cc2ccc(Cl)nn2)CCO1
InChIInChI=1S/C11H16ClN3O/c1-2-10-8-15(5-6-16-10)7-9-3-4-11(12)14-13-9/h3-4,10H,2,5-8H2,1H3
InChIKeyNVRUWVSDBFMNBD-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.74
Rot. Bonds3

About 4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine

4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine (PubChem CID 104513534) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine.

Molecular Properties

Compound Name4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine
PubChem CID104513534
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine
SMILESCCC1CN(Cc2ccc(Cl)nn2)CCO1
InChIInChI=1S/C11H16ClN3O/c1-2-10-8-15(5-6-16-10)7-9-3-4-11(12)14-13-9/h3-4,10H,2,5-8H2,1H3
InChIKeyNVRUWVSDBFMNBD-UHFFFAOYSA-N
XLogP1.74
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-chloropyridazin-3-yl)methyl]morpholine
CID 104513452
3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
CID 97163264
(6-chloropyridazin-3-yl)-(2-ethylmorpholin-4-yl)methanone
CID 60857887
(3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine
CID 71643836
4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
CID 79582785
[4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine
CID 63886681
4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine
CID 115598233
3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine
CID 130546911
N-[[6-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106905866
6-[[2-(phenoxymethyl)morpholin-4-yl]methyl]pyridazin-3-amine
CID 136570310
6-[(2-ethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine
CID 79243001
4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylmorpholine
CID 167966829

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine?
The IUPAC name of 4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine (CID 104513534) is 4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine.
What is the SMILES notation for 4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine?
The canonical SMILES for 4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine is CCC1CN(Cc2ccc(Cl)nn2)CCO1.
What is the InChIKey of 4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine?
The InChIKey is NVRUWVSDBFMNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-10-8-15(5-6-16-10)7-9-3-4-11(12)14-13-9/h3-4,10H,2,5-8H2,1H3.
What are the key properties of 4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine?
4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine has a molecular weight of 241.72 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine is sourced from PubChem (CID 104513534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).