5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine

C9H12ClN3 — CID 117105735

IUPAC5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine
SMILESCN1CCCC1c1cc(Cl)cnn1
InChIInChI=1S/C9H12ClN3/c1-13-4-2-3-9(13)8-5-7(10)6-11-12-8/h5-6,9H,2-4H2,1H3
InChIKeyNCCAEIJULLHXGW-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.90
Rot. Bonds1

About 5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine

5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine (PubChem CID 117105735) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine.

Molecular Properties

Compound Name5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine
PubChem CID117105735
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine
SMILESCN1CCCC1c1cc(Cl)cnn1
InChIInChI=1S/C9H12ClN3/c1-13-4-2-3-9(13)8-5-7(10)6-11-12-8/h5-6,9H,2-4H2,1H3
InChIKeyNCCAEIJULLHXGW-UHFFFAOYSA-N
XLogP1.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine?
The IUPAC name of 5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine (CID 117105735) is 5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine.
What is the SMILES notation for 5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine?
The canonical SMILES for 5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine is CN1CCCC1c1cc(Cl)cnn1.
What is the InChIKey of 5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine?
The InChIKey is NCCAEIJULLHXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-13-4-2-3-9(13)8-5-7(10)6-11-12-8/h5-6,9H,2-4H2,1H3.
What are the key properties of 5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine?
5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine has a molecular weight of 197.67 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine is sourced from PubChem (CID 117105735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).