4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one

C9H8ClN3O — CID 171631017

IUPAC4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one
SMILESCCn1nc(Cl)c2cnccc2c1=O
InChIInChI=1S/C9H8ClN3O/c1-2-13-9(14)6-3-4-11-5-7(6)8(10)12-13/h3-5H,2H2,1H3
InChIKeyDOQOXJZDVOZJBI-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.46
Rot. Bonds1

About 4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one

4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one (PubChem CID 171631017) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one
PubChem CID171631017
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one
SMILESCCn1nc(Cl)c2cnccc2c1=O
InChIInChI=1S/C9H8ClN3O/c1-2-13-9(14)6-3-4-11-5-7(6)8(10)12-13/h3-5H,2H2,1H3
InChIKeyDOQOXJZDVOZJBI-UHFFFAOYSA-N
XLogP1.46
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one?
The IUPAC name of 4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one (CID 171631017) is 4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one.
What is the SMILES notation for 4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one?
The canonical SMILES for 4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one is CCn1nc(Cl)c2cnccc2c1=O.
What is the InChIKey of 4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one?
The InChIKey is DOQOXJZDVOZJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-2-13-9(14)6-3-4-11-5-7(6)8(10)12-13/h3-5H,2H2,1H3.
What are the key properties of 4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one?
4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one has a molecular weight of 209.64 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one is sourced from PubChem (CID 171631017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).