8-oxo-5H-imidazo[1,2-b]pyridazine-7-carbonitrile

C7H4N4O — CID 67966558

IUPAC8-oxo-5H-imidazo[1,2-b]pyridazine-7-carbonitrile
SMILESN#Cc1c[nH]n2ccnc2c1=O
InChIInChI=1S/C7H4N4O/c8-3-5-4-10-11-2-1-9-7(11)6(5)12/h1-2,4,10H
InChIKeyYHBKZUOUABGVKD-UHFFFAOYSA-N
MW160.14 g/mol
LogP-0.11
Rot. Bonds

About 8-oxo-5H-imidazo[1,2-b]pyridazine-7-carbonitrile

8-oxo-5H-imidazo[1,2-b]pyridazine-7-carbonitrile (PubChem CID 67966558) has the molecular formula C7H4N4O and a molecular weight of 160.14 g/mol. Its IUPAC name is 8-oxo-5H-imidazo[1,2-b]pyridazine-7-carbonitrile.

Molecular Properties

Compound Name8-oxo-5H-imidazo[1,2-b]pyridazine-7-carbonitrile
PubChem CID67966558
Molecular FormulaC7H4N4O
Molecular Weight160.14 g/mol
Exact Mass160.04
IUPAC Name8-oxo-5H-imidazo[1,2-b]pyridazine-7-carbonitrile
SMILESN#Cc1c[nH]n2ccnc2c1=O
InChIInChI=1S/C7H4N4O/c8-3-5-4-10-11-2-1-9-7(11)6(5)12/h1-2,4,10H
InChIKeyYHBKZUOUABGVKD-UHFFFAOYSA-N
XLogP-0.11
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-5H-imidazo[1,2-b]pyridazine-7-carbonitrile?
The IUPAC name of 8-oxo-5H-imidazo[1,2-b]pyridazine-7-carbonitrile (CID 67966558) is 8-oxo-5H-imidazo[1,2-b]pyridazine-7-carbonitrile.
What is the SMILES notation for 8-oxo-5H-imidazo[1,2-b]pyridazine-7-carbonitrile?
The canonical SMILES for 8-oxo-5H-imidazo[1,2-b]pyridazine-7-carbonitrile is N#Cc1c[nH]n2ccnc2c1=O.
What is the InChIKey of 8-oxo-5H-imidazo[1,2-b]pyridazine-7-carbonitrile?
The InChIKey is YHBKZUOUABGVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4O/c8-3-5-4-10-11-2-1-9-7(11)6(5)12/h1-2,4,10H.
What are the key properties of 8-oxo-5H-imidazo[1,2-b]pyridazine-7-carbonitrile?
8-oxo-5H-imidazo[1,2-b]pyridazine-7-carbonitrile has a molecular weight of 160.14 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-5H-imidazo[1,2-b]pyridazine-7-carbonitrile is sourced from PubChem (CID 67966558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).