7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane

C18H24Cl2N6O3 — CID 15123395

IUPAC7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane
SMILESClc1ccc(N2CCOCCOCCN(c3ccc(Cl)nn3)CCOCC2)nn1
InChIInChI=1S/C18H24Cl2N6O3/c19-15-1-3-17(23-21-15)25-5-9-27-10-6-26(18-4-2-16(20)22-24-18)8-12-29-14-13-28-11-7-25/h1-4H,5-14H2
InChIKeyUKOFNZNDLYDRPN-UHFFFAOYSA-N
MW443.34 g/mol
LogP1.95
Rot. Bonds2

About 7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane

7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane (PubChem CID 15123395) has the molecular formula C18H24Cl2N6O3 and a molecular weight of 443.34 g/mol. Its IUPAC name is 7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane.

Molecular Properties

Compound Name7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane
PubChem CID15123395
Molecular FormulaC18H24Cl2N6O3
Molecular Weight443.34 g/mol
Exact Mass442.13
IUPAC Name7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane
SMILESClc1ccc(N2CCOCCOCCN(c3ccc(Cl)nn3)CCOCC2)nn1
InChIInChI=1S/C18H24Cl2N6O3/c19-15-1-3-17(23-21-15)25-5-9-27-10-6-26(18-4-2-16(20)22-24-18)8-12-29-14-13-28-11-7-25/h1-4H,5-14H2
InChIKeyUKOFNZNDLYDRPN-UHFFFAOYSA-N
XLogP1.95
TPSA85.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine
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3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
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Frequently Asked Questions

What is the IUPAC name of 7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane?
The IUPAC name of 7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane (CID 15123395) is 7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane.
What is the SMILES notation for 7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane?
The canonical SMILES for 7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane is Clc1ccc(N2CCOCCOCCN(c3ccc(Cl)nn3)CCOCC2)nn1.
What is the InChIKey of 7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane?
The InChIKey is UKOFNZNDLYDRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N6O3/c19-15-1-3-17(23-21-15)25-5-9-27-10-6-26(18-4-2-16(20)22-24-18)8-12-29-14-13-28-11-7-25/h1-4H,5-14H2.
What are the key properties of 7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane?
7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane has a molecular weight of 443.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane is sourced from PubChem (CID 15123395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).