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

C9H12ClN3O — CID 103542310

IUPAC3-chloro-5-(3-methoxypyrrolidin-1-yl)pyridazine
SMILESCOC1CCN(c2cnnc(Cl)c2)C1
InChIInChI=1S/C9H12ClN3O/c1-14-8-2-3-13(6-8)7-4-9(10)12-11-5-7/h4-5,8H,2-3,6H2,1H3
InChIKeyIIFVGTXNTYMZQE-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.36
Rot. Bonds2

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

3-chloro-5-(3-methoxypyrrolidin-1-yl)pyridazine (PubChem CID 103542310) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 3-chloro-5-(3-methoxypyrrolidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-5-(3-methoxypyrrolidin-1-yl)pyridazine
PubChem CID103542310
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name3-chloro-5-(3-methoxypyrrolidin-1-yl)pyridazine
SMILESCOC1CCN(c2cnnc(Cl)c2)C1
InChIInChI=1S/C9H12ClN3O/c1-14-8-2-3-13(6-8)7-4-9(10)12-11-5-7/h4-5,8H,2-3,6H2,1H3
InChIKeyIIFVGTXNTYMZQE-UHFFFAOYSA-N
XLogP1.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-methoxypyrrolidin-1-yl)pyridazine?
The IUPAC name of 3-chloro-5-(3-methoxypyrrolidin-1-yl)pyridazine (CID 103542310) is 3-chloro-5-(3-methoxypyrrolidin-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-5-(3-methoxypyrrolidin-1-yl)pyridazine?
The canonical SMILES for 3-chloro-5-(3-methoxypyrrolidin-1-yl)pyridazine is COC1CCN(c2cnnc(Cl)c2)C1.
What is the InChIKey of 3-chloro-5-(3-methoxypyrrolidin-1-yl)pyridazine?
The InChIKey is IIFVGTXNTYMZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-14-8-2-3-13(6-8)7-4-9(10)12-11-5-7/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 3-chloro-5-(3-methoxypyrrolidin-1-yl)pyridazine?
3-chloro-5-(3-methoxypyrrolidin-1-yl)pyridazine has a molecular weight of 213.67 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-methoxypyrrolidin-1-yl)pyridazine is sourced from PubChem (CID 103542310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).