4-chloro-2-methoxy-1H-imidazo[4,5-d]pyridazine

C6H5ClN4O — CID 87454726

IUPAC4-chloro-2-methoxy-1H-imidazo[4,5-d]pyridazine
SMILESCOc1nc2c(Cl)nncc2[nH]1
InChIInChI=1S/C6H5ClN4O/c1-12-6-9-3-2-8-11-5(7)4(3)10-6/h2H,1H3,(H,9,10)
InChIKeyVOKSRYSANZDFGY-UHFFFAOYSA-N
MW184.59 g/mol
LogP1.01
Rot. Bonds1

About 4-chloro-2-methoxy-1H-imidazo[4,5-d]pyridazine

4-chloro-2-methoxy-1H-imidazo[4,5-d]pyridazine (PubChem CID 87454726) has the molecular formula C6H5ClN4O and a molecular weight of 184.59 g/mol. Its IUPAC name is 4-chloro-2-methoxy-1H-imidazo[4,5-d]pyridazine.

Molecular Properties

Compound Name4-chloro-2-methoxy-1H-imidazo[4,5-d]pyridazine
PubChem CID87454726
Molecular FormulaC6H5ClN4O
Molecular Weight184.59 g/mol
Exact Mass184.02
IUPAC Name4-chloro-2-methoxy-1H-imidazo[4,5-d]pyridazine
SMILESCOc1nc2c(Cl)nncc2[nH]1
InChIInChI=1S/C6H5ClN4O/c1-12-6-9-3-2-8-11-5(7)4(3)10-6/h2H,1H3,(H,9,10)
InChIKeyVOKSRYSANZDFGY-UHFFFAOYSA-N
XLogP1.01
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.59
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-1H-imidazo[4,5-d]pyridazine?
The IUPAC name of 4-chloro-2-methoxy-1H-imidazo[4,5-d]pyridazine (CID 87454726) is 4-chloro-2-methoxy-1H-imidazo[4,5-d]pyridazine.
What is the SMILES notation for 4-chloro-2-methoxy-1H-imidazo[4,5-d]pyridazine?
The canonical SMILES for 4-chloro-2-methoxy-1H-imidazo[4,5-d]pyridazine is COc1nc2c(Cl)nncc2[nH]1.
What is the InChIKey of 4-chloro-2-methoxy-1H-imidazo[4,5-d]pyridazine?
The InChIKey is VOKSRYSANZDFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4O/c1-12-6-9-3-2-8-11-5(7)4(3)10-6/h2H,1H3,(H,9,10).
What are the key properties of 4-chloro-2-methoxy-1H-imidazo[4,5-d]pyridazine?
4-chloro-2-methoxy-1H-imidazo[4,5-d]pyridazine has a molecular weight of 184.59 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-1H-imidazo[4,5-d]pyridazine is sourced from PubChem (CID 87454726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).