4,5-dichloro-2-cyclooctylpyridazin-3-one;methane

C14H24Cl2N2O — CID 173110964

IUPAC4,5-dichloro-2-cyclooctylpyridazin-3-one;methane
SMILESC.C.O=c1c(Cl)c(Cl)cnn1C1CCCCCCC1
InChIInChI=1S/C12H16Cl2N2O.2CH4/c13-10-8-15-16(12(17)11(10)14)9-6-4-2-1-3-5-7-9;;/h8-9H,1-7H2;2*1H4
InChIKeyCHVYMRBRSFHFGN-UHFFFAOYSA-N
MW307.26 g/mol
LogP5.11
Rot. Bonds1

About 4,5-dichloro-2-cyclooctylpyridazin-3-one;methane

4,5-dichloro-2-cyclooctylpyridazin-3-one;methane (PubChem CID 173110964) has the molecular formula C14H24Cl2N2O and a molecular weight of 307.26 g/mol. Its IUPAC name is 4,5-dichloro-2-cyclooctylpyridazin-3-one;methane.

Molecular Properties

Compound Name4,5-dichloro-2-cyclooctylpyridazin-3-one;methane
PubChem CID173110964
Molecular FormulaC14H24Cl2N2O
Molecular Weight307.26 g/mol
Exact Mass306.13
IUPAC Name4,5-dichloro-2-cyclooctylpyridazin-3-one;methane
SMILESC.C.O=c1c(Cl)c(Cl)cnn1C1CCCCCCC1
InChIInChI=1S/C12H16Cl2N2O.2CH4/c13-10-8-15-16(12(17)11(10)14)9-6-4-2-1-3-5-7-9;;/h8-9H,1-7H2;2*1H4
InChIKeyCHVYMRBRSFHFGN-UHFFFAOYSA-N
XLogP5.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.26
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-cyclooctylpyridazin-3-one;methane?
The IUPAC name of 4,5-dichloro-2-cyclooctylpyridazin-3-one;methane (CID 173110964) is 4,5-dichloro-2-cyclooctylpyridazin-3-one;methane.
What is the SMILES notation for 4,5-dichloro-2-cyclooctylpyridazin-3-one;methane?
The canonical SMILES for 4,5-dichloro-2-cyclooctylpyridazin-3-one;methane is C.C.O=c1c(Cl)c(Cl)cnn1C1CCCCCCC1.
What is the InChIKey of 4,5-dichloro-2-cyclooctylpyridazin-3-one;methane?
The InChIKey is CHVYMRBRSFHFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O.2CH4/c13-10-8-15-16(12(17)11(10)14)9-6-4-2-1-3-5-7-9;;/h8-9H,1-7H2;2*1H4.
What are the key properties of 4,5-dichloro-2-cyclooctylpyridazin-3-one;methane?
4,5-dichloro-2-cyclooctylpyridazin-3-one;methane has a molecular weight of 307.26 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-cyclooctylpyridazin-3-one;methane is sourced from PubChem (CID 173110964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).