N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine

C16H18N4O2 — CID 126471713

IUPACN-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOCCNc1ccc2ncc(-c3ccccc3OC)n2n1
InChIInChI=1S/C16H18N4O2/c1-21-10-9-17-15-7-8-16-18-11-13(20(16)19-15)12-5-3-4-6-14(12)22-2/h3-8,11H,9-10H2,1-2H3,(H,17,19)
InChIKeyCBNXGJOAYVJXJN-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.46
Rot. Bonds6

About N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine

N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 126471713) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID126471713
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOCCNc1ccc2ncc(-c3ccccc3OC)n2n1
InChIInChI=1S/C16H18N4O2/c1-21-10-9-17-15-7-8-16-18-11-13(20(16)19-15)12-5-3-4-6-14(12)22-2/h3-8,11H,9-10H2,1-2H3,(H,17,19)
InChIKeyCBNXGJOAYVJXJN-UHFFFAOYSA-N
XLogP2.46
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine (CID 126471713) is N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine is COCCNc1ccc2ncc(-c3ccccc3OC)n2n1.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is CBNXGJOAYVJXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-21-10-9-17-15-7-8-16-18-11-13(20(16)19-15)12-5-3-4-6-14(12)22-2/h3-8,11H,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 298.35 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126471713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).