4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine

C10H14ClN3O — CID 117105117

IUPAC4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine
SMILESCOc1nnc(C2CCN(C)C2)cc1Cl
InChIInChI=1S/C10H14ClN3O/c1-14-4-3-7(6-14)9-5-8(11)10(15-2)13-12-9/h5,7H,3-4,6H2,1-2H3
InChIKeyAKJNUUNMTOYFPX-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.56
Rot. Bonds2

About 4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine

4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine (PubChem CID 117105117) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine.

Molecular Properties

Compound Name4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine
PubChem CID117105117
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine
SMILESCOc1nnc(C2CCN(C)C2)cc1Cl
InChIInChI=1S/C10H14ClN3O/c1-14-4-3-7(6-14)9-5-8(11)10(15-2)13-12-9/h5,7H,3-4,6H2,1-2H3
InChIKeyAKJNUUNMTOYFPX-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-cyclohexyl-3-methoxypyridazine
CID 117107222
5-chloro-3-(1-methylpiperidin-3-yl)pyridazine
CID 117105599
3-(3,4-dichlorophenyl)-1-methylpyrrolidine
CID 67174764
4-chloro-6-(1-propan-2-ylpyrrolidin-3-yl)pyridazin-3-amine
CID 117105087
4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine
CID 117105672
5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole
CID 116856668
6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine
CID 117105593
3-(1-methylpyrrolidin-3-yl)pyridazine
CID 117105038
5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole
CID 117259141
5-chloro-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one
CID 117105191
4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine
CID 156561113
1-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]piperidin-4-ol
CID 116972763

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine?
The IUPAC name of 4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine (CID 117105117) is 4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine.
What is the SMILES notation for 4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine?
The canonical SMILES for 4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine is COc1nnc(C2CCN(C)C2)cc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine?
The InChIKey is AKJNUUNMTOYFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-14-4-3-7(6-14)9-5-8(11)10(15-2)13-12-9/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine?
4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine has a molecular weight of 227.69 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine is sourced from PubChem (CID 117105117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).