6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine

C14H13ClN4O — CID 86611708

IUPAC6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCCOc1ccc(Nc2cc(Cl)nn3ccnc23)cc1
InChIInChI=1S/C14H13ClN4O/c1-2-20-11-5-3-10(4-6-11)17-12-9-13(15)18-19-8-7-16-14(12)19/h3-9,17H,2H2,1H3
InChIKeyFRBNZYPCDWXBDN-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.53
Rot. Bonds4

About 6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine

6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 86611708) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID86611708
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCCOc1ccc(Nc2cc(Cl)nn3ccnc23)cc1
InChIInChI=1S/C14H13ClN4O/c1-2-20-11-5-3-10(4-6-11)17-12-9-13(15)18-19-8-7-16-14(12)19/h3-9,17H,2H2,1H3
InChIKeyFRBNZYPCDWXBDN-UHFFFAOYSA-N
XLogP3.53
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine (CID 86611708) is 6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine is CCOc1ccc(Nc2cc(Cl)nn3ccnc23)cc1.
What is the InChIKey of 6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is FRBNZYPCDWXBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-2-20-11-5-3-10(4-6-11)17-12-9-13(15)18-19-8-7-16-14(12)19/h3-9,17H,2H2,1H3.
What are the key properties of 6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine?
6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 288.74 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 86611708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).