6-chloro-2-(6-propan-2-yl-3-pyridinyl)pyridazin-3-one

C12H12ClN3O — CID 171100781

IUPAC6-chloro-2-(6-propan-2-yl-3-pyridinyl)pyridazin-3-one
SMILESCC(C)c1ccc(-n2nc(Cl)ccc2=O)cn1
InChIInChI=1S/C12H12ClN3O/c1-8(2)10-4-3-9(7-14-10)16-12(17)6-5-11(13)15-16/h3-8H,1-2H3
InChIKeyIIABWDFZMCVHOV-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.40
Rot. Bonds2

About 6-chloro-2-(6-propan-2-yl-3-pyridinyl)pyridazin-3-one

6-chloro-2-(6-propan-2-yl-3-pyridinyl)pyridazin-3-one (PubChem CID 171100781) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 6-chloro-2-(6-propan-2-yl-3-pyridinyl)pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-(6-propan-2-yl-3-pyridinyl)pyridazin-3-one
PubChem CID171100781
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name6-chloro-2-(6-propan-2-yl-3-pyridinyl)pyridazin-3-one
SMILESCC(C)c1ccc(-n2nc(Cl)ccc2=O)cn1
InChIInChI=1S/C12H12ClN3O/c1-8(2)10-4-3-9(7-14-10)16-12(17)6-5-11(13)15-16/h3-8H,1-2H3
InChIKeyIIABWDFZMCVHOV-UHFFFAOYSA-N
XLogP2.40
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(6-propan-2-yl-3-pyridinyl)pyridazin-3-one?
The IUPAC name of 6-chloro-2-(6-propan-2-yl-3-pyridinyl)pyridazin-3-one (CID 171100781) is 6-chloro-2-(6-propan-2-yl-3-pyridinyl)pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-(6-propan-2-yl-3-pyridinyl)pyridazin-3-one?
The canonical SMILES for 6-chloro-2-(6-propan-2-yl-3-pyridinyl)pyridazin-3-one is CC(C)c1ccc(-n2nc(Cl)ccc2=O)cn1.
What is the InChIKey of 6-chloro-2-(6-propan-2-yl-3-pyridinyl)pyridazin-3-one?
The InChIKey is IIABWDFZMCVHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8(2)10-4-3-9(7-14-10)16-12(17)6-5-11(13)15-16/h3-8H,1-2H3.
What are the key properties of 6-chloro-2-(6-propan-2-yl-3-pyridinyl)pyridazin-3-one?
6-chloro-2-(6-propan-2-yl-3-pyridinyl)pyridazin-3-one has a molecular weight of 249.70 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(6-propan-2-yl-3-pyridinyl)pyridazin-3-one is sourced from PubChem (CID 171100781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).