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

C9H12ClN3 — CID 114478162

IUPAC3-chloro-5-(3-methylpyrrolidin-1-yl)pyridazine
SMILESCC1CCN(c2cnnc(Cl)c2)C1
InChIInChI=1S/C9H12ClN3/c1-7-2-3-13(6-7)8-4-9(10)12-11-5-8/h4-5,7H,2-3,6H2,1H3
InChIKeyZJBIUUMWGGEHOZ-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.98
Rot. Bonds1

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

3-chloro-5-(3-methylpyrrolidin-1-yl)pyridazine (PubChem CID 114478162) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-chloro-5-(3-methylpyrrolidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-5-(3-methylpyrrolidin-1-yl)pyridazine
PubChem CID114478162
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name3-chloro-5-(3-methylpyrrolidin-1-yl)pyridazine
SMILESCC1CCN(c2cnnc(Cl)c2)C1
InChIInChI=1S/C9H12ClN3/c1-7-2-3-13(6-7)8-4-9(10)12-11-5-8/h4-5,7H,2-3,6H2,1H3
InChIKeyZJBIUUMWGGEHOZ-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-methylpyrrolidin-1-yl)pyridazine?
The IUPAC name of 3-chloro-5-(3-methylpyrrolidin-1-yl)pyridazine (CID 114478162) is 3-chloro-5-(3-methylpyrrolidin-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-5-(3-methylpyrrolidin-1-yl)pyridazine?
The canonical SMILES for 3-chloro-5-(3-methylpyrrolidin-1-yl)pyridazine is CC1CCN(c2cnnc(Cl)c2)C1.
What is the InChIKey of 3-chloro-5-(3-methylpyrrolidin-1-yl)pyridazine?
The InChIKey is ZJBIUUMWGGEHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-7-2-3-13(6-7)8-4-9(10)12-11-5-8/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 3-chloro-5-(3-methylpyrrolidin-1-yl)pyridazine?
3-chloro-5-(3-methylpyrrolidin-1-yl)pyridazine has a molecular weight of 197.67 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-methylpyrrolidin-1-yl)pyridazine is sourced from PubChem (CID 114478162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).