4,7-dichloro-1H-imidazo[4,5-d]pyridazine

C5H2Cl2N4 — CID 5302825

IUPAC4,7-dichloro-1H-imidazo[4,5-d]pyridazine
SMILESClc1nnc(Cl)c2[nH]cnc12
InChIInChI=1S/C5H2Cl2N4/c6-4-2-3(9-1-8-2)5(7)11-10-4/h1H,(H,8,9)
InChIKeyKDFRQLMTRRFLKG-UHFFFAOYSA-N
MW189.01 g/mol
LogP1.66
Rot. Bonds

About 4,7-dichloro-1H-imidazo[4,5-d]pyridazine

4,7-dichloro-1H-imidazo[4,5-d]pyridazine (PubChem CID 5302825) has the molecular formula C5H2Cl2N4 and a molecular weight of 189.01 g/mol. Its IUPAC name is 4,7-dichloro-1H-imidazo[4,5-d]pyridazine.

Molecular Properties

Compound Name4,7-dichloro-1H-imidazo[4,5-d]pyridazine
PubChem CID5302825
Molecular FormulaC5H2Cl2N4
Molecular Weight189.01 g/mol
Exact Mass187.97
IUPAC Name4,7-dichloro-1H-imidazo[4,5-d]pyridazine
SMILESClc1nnc(Cl)c2[nH]cnc12
InChIInChI=1S/C5H2Cl2N4/c6-4-2-3(9-1-8-2)5(7)11-10-4/h1H,(H,8,9)
InChIKeyKDFRQLMTRRFLKG-UHFFFAOYSA-N
XLogP1.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-1H-imidazo[4,5-d]pyridazine?
The IUPAC name of 4,7-dichloro-1H-imidazo[4,5-d]pyridazine (CID 5302825) is 4,7-dichloro-1H-imidazo[4,5-d]pyridazine.
What is the SMILES notation for 4,7-dichloro-1H-imidazo[4,5-d]pyridazine?
The canonical SMILES for 4,7-dichloro-1H-imidazo[4,5-d]pyridazine is Clc1nnc(Cl)c2[nH]cnc12.
What is the InChIKey of 4,7-dichloro-1H-imidazo[4,5-d]pyridazine?
The InChIKey is KDFRQLMTRRFLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2N4/c6-4-2-3(9-1-8-2)5(7)11-10-4/h1H,(H,8,9).
What are the key properties of 4,7-dichloro-1H-imidazo[4,5-d]pyridazine?
4,7-dichloro-1H-imidazo[4,5-d]pyridazine has a molecular weight of 189.01 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-1H-imidazo[4,5-d]pyridazine is sourced from PubChem (CID 5302825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).