5H-imidazo[4,5-c]pyridazine

C5H4N4 — CID 11029819

IUPAC5H-imidazo[4,5-c]pyridazine
SMILESc1cc2[nH]cnc2nn1
InChIInChI=1S/C5H4N4/c1-2-8-9-5-4(1)6-3-7-5/h1-3H,(H,6,7,9)
InChIKeyMJQSRSOTRPMVKB-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.35
Rot. Bonds

About 5H-imidazo[4,5-c]pyridazine

5H-imidazo[4,5-c]pyridazine (PubChem CID 11029819) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is 5H-imidazo[4,5-c]pyridazine.

Molecular Properties

Compound Name5H-imidazo[4,5-c]pyridazine
PubChem CID11029819
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Name5H-imidazo[4,5-c]pyridazine
SMILESc1cc2[nH]cnc2nn1
InChIInChI=1S/C5H4N4/c1-2-8-9-5-4(1)6-3-7-5/h1-3H,(H,6,7,9)
InChIKeyMJQSRSOTRPMVKB-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 5H-imidazo[4,5-c]pyridazine?
The IUPAC name of 5H-imidazo[4,5-c]pyridazine (CID 11029819) is 5H-imidazo[4,5-c]pyridazine.
What is the SMILES notation for 5H-imidazo[4,5-c]pyridazine?
The canonical SMILES for 5H-imidazo[4,5-c]pyridazine is c1cc2[nH]cnc2nn1.
What is the InChIKey of 5H-imidazo[4,5-c]pyridazine?
The InChIKey is MJQSRSOTRPMVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c1-2-8-9-5-4(1)6-3-7-5/h1-3H,(H,6,7,9).
What are the key properties of 5H-imidazo[4,5-c]pyridazine?
5H-imidazo[4,5-c]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 5H-imidazo[4,5-c]pyridazine is sourced from PubChem (CID 11029819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).