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

C5H4N4 — CID 5370875

IUPAC1H-imidazo[4,5-d]pyridazine
SMILESc1nc2cnncc2[nH]1
InChIInChI=1S/C5H4N4/c1-4-5(2-9-8-1)7-3-6-4/h1-3H,(H,6,7)
InChIKeyUWZYICUGNHLGSA-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.35
Rot. Bonds

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

1H-imidazo[4,5-d]pyridazine (PubChem CID 5370875) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is 1H-imidazo[4,5-d]pyridazine.

Molecular Properties

Compound Name1H-imidazo[4,5-d]pyridazine
PubChem CID5370875
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Name1H-imidazo[4,5-d]pyridazine
SMILESc1nc2cnncc2[nH]1
InChIInChI=1S/C5H4N4/c1-4-5(2-9-8-1)7-3-6-4/h1-3H,(H,6,7)
InChIKeyUWZYICUGNHLGSA-UHFFFAOYSA-N
XLogP0.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazo[4,5-d]pyridazine?
The IUPAC name of 1H-imidazo[4,5-d]pyridazine (CID 5370875) is 1H-imidazo[4,5-d]pyridazine.
What is the SMILES notation for 1H-imidazo[4,5-d]pyridazine?
The canonical SMILES for 1H-imidazo[4,5-d]pyridazine is c1nc2cnncc2[nH]1.
What is the InChIKey of 1H-imidazo[4,5-d]pyridazine?
The InChIKey is UWZYICUGNHLGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c1-4-5(2-9-8-1)7-3-6-4/h1-3H,(H,6,7).
What are the key properties of 1H-imidazo[4,5-d]pyridazine?
1H-imidazo[4,5-d]pyridazine has a molecular weight of 120.11 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazo[4,5-d]pyridazine is sourced from PubChem (CID 5370875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).