[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]chloranium

C9H11Cl2N2O2+ — CID 163633599

IUPAC[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]chloranium
SMILESO=c1c(Cl)c([ClH+])cnn1C1CCCCO1
InChIInChI=1S/C9H11Cl2N2O2/c10-6-5-12-13(9(14)8(6)11)7-3-1-2-4-15-7/h5,7,10H,1-4H2/q+1
InChIKeyHYEMBBLPNWAGSS-UHFFFAOYSA-N
MW250.10 g/mol
LogP1.29
Rot. Bonds1

About [5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]chloranium

[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]chloranium (PubChem CID 163633599) has the molecular formula C9H11Cl2N2O2+ and a molecular weight of 250.10 g/mol. Its IUPAC name is [5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]chloranium.

Molecular Properties

Compound Name[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]chloranium
PubChem CID163633599
Molecular FormulaC9H11Cl2N2O2+
Molecular Weight250.10 g/mol
Exact Mass249.02
IUPAC Name[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]chloranium
SMILESO=c1c(Cl)c([ClH+])cnn1C1CCCCO1
InChIInChI=1S/C9H11Cl2N2O2/c10-6-5-12-13(9(14)8(6)11)7-3-1-2-4-15-7/h5,7,10H,1-4H2/q+1
InChIKeyHYEMBBLPNWAGSS-UHFFFAOYSA-N
XLogP1.29
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]chloranium?
The IUPAC name of [5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]chloranium (CID 163633599) is [5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]chloranium.
What is the SMILES notation for [5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]chloranium?
The canonical SMILES for [5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]chloranium is O=c1c(Cl)c([ClH+])cnn1C1CCCCO1.
What is the InChIKey of [5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]chloranium?
The InChIKey is HYEMBBLPNWAGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N2O2/c10-6-5-12-13(9(14)8(6)11)7-3-1-2-4-15-7/h5,7,10H,1-4H2/q+1.
What are the key properties of [5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]chloranium?
[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]chloranium has a molecular weight of 250.10 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]chloranium is sourced from PubChem (CID 163633599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).