3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine

C9H12ClN3O — CID 71640803

IUPAC3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine
SMILESClc1ccc(COC2CCNC2)nn1
InChIInChI=1S/C9H12ClN3O/c10-9-2-1-7(12-13-9)6-14-8-3-4-11-5-8/h1-2,8,11H,3-6H2
InChIKeyZIDRHYVRMQBUKW-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.01
Rot. Bonds3

About 3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine

3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine (PubChem CID 71640803) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine
PubChem CID71640803
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine
SMILESClc1ccc(COC2CCNC2)nn1
InChIInChI=1S/C9H12ClN3O/c10-9-2-1-7(12-13-9)6-14-8-3-4-11-5-8/h1-2,8,11H,3-6H2
InChIKeyZIDRHYVRMQBUKW-UHFFFAOYSA-N
XLogP1.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridazine;hydrochloride
CID 71640794
3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine;hydrochloride
CID 71640792
3-chloro-6-pyrrolidin-3-yloxypyridazine
CID 62349337
3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine
CID 117105313
3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride
CID 71639908
3-[(2,6-dichlorophenyl)methoxy]pyrrolidine
CID 62328259
3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine
CID 97164075
4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine
CID 71636909
2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine
CID 71639891
2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride
CID 71636912
2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71639890
2-chloro-5-[[(3S)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71639892

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine?
The IUPAC name of 3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine (CID 71640803) is 3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine?
The canonical SMILES for 3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine is Clc1ccc(COC2CCNC2)nn1.
What is the InChIKey of 3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine?
The InChIKey is ZIDRHYVRMQBUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-9-2-1-7(12-13-9)6-14-8-3-4-11-5-8/h1-2,8,11H,3-6H2.
What are the key properties of 3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine?
3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine has a molecular weight of 213.67 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine is sourced from PubChem (CID 71640803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).