1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea

C16H18N6O2 — CID 58243120

IUPAC1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
SMILESCOc1cccc(-c2ccc3nc(NC(=O)NN(C)C)cn3n2)c1
InChIInChI=1S/C16H18N6O2/c1-21(2)20-16(23)18-14-10-22-15(17-14)8-7-13(19-22)11-5-4-6-12(9-11)24-3/h4-10H,1-3H3,(H2,18,20,23)
InChIKeyGLTOEPRCUVZLOO-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.00
Rot. Bonds4

About 1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea

1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea (PubChem CID 58243120) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea.

Molecular Properties

Compound Name1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
PubChem CID58243120
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
SMILESCOc1cccc(-c2ccc3nc(NC(=O)NN(C)C)cn3n2)c1
InChIInChI=1S/C16H18N6O2/c1-21(2)20-16(23)18-14-10-22-15(17-14)8-7-13(19-22)11-5-4-6-12(9-11)24-3/h4-10H,1-3H3,(H2,18,20,23)
InChIKeyGLTOEPRCUVZLOO-UHFFFAOYSA-N
XLogP2.00
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea?
The IUPAC name of 1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea (CID 58243120) is 1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea.
What is the SMILES notation for 1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea?
The canonical SMILES for 1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea is COc1cccc(-c2ccc3nc(NC(=O)NN(C)C)cn3n2)c1.
What is the InChIKey of 1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea?
The InChIKey is GLTOEPRCUVZLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-21(2)20-16(23)18-14-10-22-15(17-14)8-7-13(19-22)11-5-4-6-12(9-11)24-3/h4-10H,1-3H3,(H2,18,20,23).
What are the key properties of 1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea?
1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea has a molecular weight of 326.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea is sourced from PubChem (CID 58243120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).