1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea

C8H8N8O — CID 58243097

IUPAC1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea
SMILESCNC(=O)Nc1cn2nc(N=[N+]=[N-])ccc2n1
InChIInChI=1S/C8H8N8O/c1-10-8(17)12-6-4-16-7(11-6)3-2-5(14-16)13-15-9/h2-4H,1H3,(H2,10,12,17)
InChIKeyZZMVYQTZPWHMLH-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.42
Rot. Bonds2

About 1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea

1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea (PubChem CID 58243097) has the molecular formula C8H8N8O and a molecular weight of 232.21 g/mol. Its IUPAC name is 1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea.

Molecular Properties

Compound Name1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea
PubChem CID58243097
Molecular FormulaC8H8N8O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC Name1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea
SMILESCNC(=O)Nc1cn2nc(N=[N+]=[N-])ccc2n1
InChIInChI=1S/C8H8N8O/c1-10-8(17)12-6-4-16-7(11-6)3-2-5(14-16)13-15-9/h2-4H,1H3,(H2,10,12,17)
InChIKeyZZMVYQTZPWHMLH-UHFFFAOYSA-N
XLogP1.42
TPSA120.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea?
The IUPAC name of 1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea (CID 58243097) is 1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea.
What is the SMILES notation for 1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea?
The canonical SMILES for 1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea is CNC(=O)Nc1cn2nc(N=[N+]=[N-])ccc2n1.
What is the InChIKey of 1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea?
The InChIKey is ZZMVYQTZPWHMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N8O/c1-10-8(17)12-6-4-16-7(11-6)3-2-5(14-16)13-15-9/h2-4H,1H3,(H2,10,12,17).
What are the key properties of 1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea?
1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea has a molecular weight of 232.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea is sourced from PubChem (CID 58243097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).