4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine

C10H14ClN3O — CID 61255944

IUPAC4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine
SMILESCC1CN(c2ccc(CCl)nn2)CCO1
InChIInChI=1S/C10H14ClN3O/c1-8-7-14(4-5-15-8)10-3-2-9(6-11)12-13-10/h2-3,8H,4-7H2,1H3
InChIKeyYWIBCUUBNPHXQN-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.44
Rot. Bonds2

About 4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine

4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine (PubChem CID 61255944) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine
PubChem CID61255944
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine
SMILESCC1CN(c2ccc(CCl)nn2)CCO1
InChIInChI=1S/C10H14ClN3O/c1-8-7-14(4-5-15-8)10-3-2-9(6-11)12-13-10/h2-3,8H,4-7H2,1H3
InChIKeyYWIBCUUBNPHXQN-UHFFFAOYSA-N
XLogP1.44
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine
CID 61257804
3-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridazine
CID 61257627
4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride
CID 82036401
1-[6-(chloromethyl)pyridazin-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63165035
2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine
CID 133290493
3-(azetidin-1-yl)-6-(chloromethyl)pyridazine
CID 130548160
[6-(2-ethylmorpholin-4-yl)pyridazin-3-yl]methanamine
CID 62284627
3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine
CID 61421837
1-[6-(2,6-dimethylmorpholin-4-yl)pyridazin-3-yl]-N-methylmethanamine
CID 55054944
[5-chloro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]methanamine
CID 114925011
[4-(6-propylpyridazin-3-yl)morpholin-2-yl]methanamine
CID 116972570
3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine
CID 61445366

Frequently Asked Questions

What is the IUPAC name of 4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine?
The IUPAC name of 4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine (CID 61255944) is 4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine.
What is the SMILES notation for 4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine?
The canonical SMILES for 4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine is CC1CN(c2ccc(CCl)nn2)CCO1.
What is the InChIKey of 4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine?
The InChIKey is YWIBCUUBNPHXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-8-7-14(4-5-15-8)10-3-2-9(6-11)12-13-10/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine?
4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine has a molecular weight of 227.69 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine is sourced from PubChem (CID 61255944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).