7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one

C10H10ClN3O — CID 167949901

IUPAC7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one
SMILESCC(C)n1ncc2cc(Cl)ncc2c1=O
InChIInChI=1S/C10H10ClN3O/c1-6(2)14-10(15)8-5-12-9(11)3-7(8)4-13-14/h3-6H,1-2H3
InChIKeyFODYVTKHKMKQHE-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.03
Rot. Bonds1

About 7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one

7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one (PubChem CID 167949901) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one
PubChem CID167949901
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one
SMILESCC(C)n1ncc2cc(Cl)ncc2c1=O
InChIInChI=1S/C10H10ClN3O/c1-6(2)14-10(15)8-5-12-9(11)3-7(8)4-13-14/h3-6H,1-2H3
InChIKeyFODYVTKHKMKQHE-UHFFFAOYSA-N
XLogP2.03
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one?
The IUPAC name of 7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one (CID 167949901) is 7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one.
What is the SMILES notation for 7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one?
The canonical SMILES for 7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one is CC(C)n1ncc2cc(Cl)ncc2c1=O.
What is the InChIKey of 7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one?
The InChIKey is FODYVTKHKMKQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-6(2)14-10(15)8-5-12-9(11)3-7(8)4-13-14/h3-6H,1-2H3.
What are the key properties of 7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one?
7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one has a molecular weight of 223.66 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one is sourced from PubChem (CID 167949901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).