4-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-quinoxaline

C12H11ClN4 — CID 117100589

IUPAC4-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-quinoxaline
SMILESClc1ccc(N2CCNc3ccccc32)nn1
InChIInChI=1S/C12H11ClN4/c13-11-5-6-12(16-15-11)17-8-7-14-9-3-1-2-4-10(9)17/h1-6,14H,7-8H2
InChIKeyPYJCDLLADKXLDX-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.69
Rot. Bonds1

About 4-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-quinoxaline

4-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-quinoxaline (PubChem CID 117100589) has the molecular formula C12H11ClN4 and a molecular weight of 246.70 g/mol. Its IUPAC name is 4-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-quinoxaline
PubChem CID117100589
Molecular FormulaC12H11ClN4
Molecular Weight246.70 g/mol
Exact Mass246.07
IUPAC Name4-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-quinoxaline
SMILESClc1ccc(N2CCNc3ccccc32)nn1
InChIInChI=1S/C12H11ClN4/c13-11-5-6-12(16-15-11)17-8-7-14-9-3-1-2-4-10(9)17/h1-6,14H,7-8H2
InChIKeyPYJCDLLADKXLDX-UHFFFAOYSA-N
XLogP2.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-quinoxaline (CID 117100589) is 4-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-quinoxaline is Clc1ccc(N2CCNc3ccccc32)nn1.
What is the InChIKey of 4-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is PYJCDLLADKXLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4/c13-11-5-6-12(16-15-11)17-8-7-14-9-3-1-2-4-10(9)17/h1-6,14H,7-8H2.
What are the key properties of 4-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-quinoxaline?
4-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 246.70 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 117100589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).