4-[1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl]morpholine

C12H17ClN4O — CID 114478286

IUPAC4-[1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl]morpholine
SMILESClc1cc(N2CCC(N3CCOCC3)C2)cnn1
InChIInChI=1S/C12H17ClN4O/c13-12-7-11(8-14-15-12)17-2-1-10(9-17)16-3-5-18-6-4-16/h7-8,10H,1-6,9H2
InChIKeyCCSDATCCWZGJOX-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.04
Rot. Bonds2

About 4-[1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl]morpholine

4-[1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl]morpholine (PubChem CID 114478286) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 4-[1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl]morpholine
PubChem CID114478286
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name4-[1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl]morpholine
SMILESClc1cc(N2CCC(N3CCOCC3)C2)cnn1
InChIInChI=1S/C12H17ClN4O/c13-12-7-11(8-14-15-12)17-2-1-10(9-17)16-3-5-18-6-4-16/h7-8,10H,1-6,9H2
InChIKeyCCSDATCCWZGJOX-UHFFFAOYSA-N
XLogP1.04
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl]morpholine (CID 114478286) is 4-[1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl]morpholine is Clc1cc(N2CCC(N3CCOCC3)C2)cnn1.
What is the InChIKey of 4-[1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl]morpholine?
The InChIKey is CCSDATCCWZGJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c13-12-7-11(8-14-15-12)17-2-1-10(9-17)16-3-5-18-6-4-16/h7-8,10H,1-6,9H2.
What are the key properties of 4-[1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl]morpholine?
4-[1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl]morpholine has a molecular weight of 268.75 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 114478286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).