6-chloro-2-(2-methylpropyl)pyridazin-3-one

C8H11ClN2O — CID 58125120

IUPAC6-chloro-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1nc(Cl)ccc1=O
InChIInChI=1S/C8H11ClN2O/c1-6(2)5-11-8(12)4-3-7(9)10-11/h3-4,6H,5H2,1-2H3
InChIKeyMRWIKRRNJWYXBW-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.55
Rot. Bonds2

About 6-chloro-2-(2-methylpropyl)pyridazin-3-one

6-chloro-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 58125120) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 6-chloro-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-(2-methylpropyl)pyridazin-3-one
PubChem CID58125120
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name6-chloro-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1nc(Cl)ccc1=O
InChIInChI=1S/C8H11ClN2O/c1-6(2)5-11-8(12)4-3-7(9)10-11/h3-4,6H,5H2,1-2H3
InChIKeyMRWIKRRNJWYXBW-UHFFFAOYSA-N
XLogP1.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 6-chloro-2-(2-methylpropyl)pyridazin-3-one (CID 58125120) is 6-chloro-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 6-chloro-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1nc(Cl)ccc1=O.
What is the InChIKey of 6-chloro-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is MRWIKRRNJWYXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-6(2)5-11-8(12)4-3-7(9)10-11/h3-4,6H,5H2,1-2H3.
What are the key properties of 6-chloro-2-(2-methylpropyl)pyridazin-3-one?
6-chloro-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 186.64 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 58125120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).