4-(6-chloropyridazin-3-yl)oxy-1-methylpyrrolidin-3-amine

C9H13ClN4O — CID 134434646

IUPAC4-(6-chloropyridazin-3-yl)oxy-1-methylpyrrolidin-3-amine
SMILESCN1CC(N)C(Oc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H13ClN4O/c1-14-4-6(11)7(5-14)15-9-3-2-8(10)12-13-9/h2-3,6-7H,4-5,11H2,1H3
InChIKeyQPMLSTTUFLVNNB-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.15
Rot. Bonds2

About 4-(6-chloropyridazin-3-yl)oxy-1-methylpyrrolidin-3-amine

4-(6-chloropyridazin-3-yl)oxy-1-methylpyrrolidin-3-amine (PubChem CID 134434646) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-(6-chloropyridazin-3-yl)oxy-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-(6-chloropyridazin-3-yl)oxy-1-methylpyrrolidin-3-amine
PubChem CID134434646
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name4-(6-chloropyridazin-3-yl)oxy-1-methylpyrrolidin-3-amine
SMILESCN1CC(N)C(Oc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H13ClN4O/c1-14-4-6(11)7(5-14)15-9-3-2-8(10)12-13-9/h2-3,6-7H,4-5,11H2,1H3
InChIKeyQPMLSTTUFLVNNB-UHFFFAOYSA-N
XLogP0.15
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazin-3-yl)oxy-1-methylpyrrolidin-3-amine?
The IUPAC name of 4-(6-chloropyridazin-3-yl)oxy-1-methylpyrrolidin-3-amine (CID 134434646) is 4-(6-chloropyridazin-3-yl)oxy-1-methylpyrrolidin-3-amine.
What is the SMILES notation for 4-(6-chloropyridazin-3-yl)oxy-1-methylpyrrolidin-3-amine?
The canonical SMILES for 4-(6-chloropyridazin-3-yl)oxy-1-methylpyrrolidin-3-amine is CN1CC(N)C(Oc2ccc(Cl)nn2)C1.
What is the InChIKey of 4-(6-chloropyridazin-3-yl)oxy-1-methylpyrrolidin-3-amine?
The InChIKey is QPMLSTTUFLVNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-14-4-6(11)7(5-14)15-9-3-2-8(10)12-13-9/h2-3,6-7H,4-5,11H2,1H3.
What are the key properties of 4-(6-chloropyridazin-3-yl)oxy-1-methylpyrrolidin-3-amine?
4-(6-chloropyridazin-3-yl)oxy-1-methylpyrrolidin-3-amine has a molecular weight of 228.68 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazin-3-yl)oxy-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 134434646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).