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

C9H12ClN3 — CID 117105313

IUPAC3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine
SMILESClc1ccc(CC2CCNC2)nn1
InChIInChI=1S/C9H12ClN3/c10-9-2-1-8(12-13-9)5-7-3-4-11-6-7/h1-2,7,11H,3-6H2
InChIKeyGFJVBIYKONIBDP-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.28
Rot. Bonds2

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

3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine (PubChem CID 117105313) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine
PubChem CID117105313
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine
SMILESClc1ccc(CC2CCNC2)nn1
InChIInChI=1S/C9H12ClN3/c10-9-2-1-8(12-13-9)5-7-3-4-11-6-7/h1-2,7,11H,3-6H2
InChIKeyGFJVBIYKONIBDP-UHFFFAOYSA-N
XLogP1.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 95816766
3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride
CID 71639908
3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine
CID 71640803
3-chloro-6-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridazine;hydrochloride
CID 71640794
6-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 117106274
6-chloro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 97164559
3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine
CID 97164075
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 158085877
3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine;hydrochloride
CID 71640792
N,N-dimethyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine;dihydrochloride
CID 119057229
5-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 146288202

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine?
The IUPAC name of 3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine (CID 117105313) is 3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine?
The canonical SMILES for 3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine is Clc1ccc(CC2CCNC2)nn1.
What is the InChIKey of 3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine?
The InChIKey is GFJVBIYKONIBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-9-2-1-8(12-13-9)5-7-3-4-11-6-7/h1-2,7,11H,3-6H2.
What are the key properties of 3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine?
3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine has a molecular weight of 197.67 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine is sourced from PubChem (CID 117105313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).