3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine

C21H22N4 — CID 90388471

IUPAC3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine
SMILESCCCCCNc1ccc2ncc(-c3cccc4ccccc34)n2n1
InChIInChI=1S/C21H22N4/c1-2-3-6-14-22-20-12-13-21-23-15-19(25(21)24-20)18-11-7-9-16-8-4-5-10-17(16)18/h4-5,7-13,15H,2-3,6,14H2,1H3,(H,22,24)
InChIKeyVNDMZKRUYUBDFB-UHFFFAOYSA-N
MW330.44 g/mol
LogP5.15
Rot. Bonds6

About 3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine

3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 90388471) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine
PubChem CID90388471
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine
SMILESCCCCCNc1ccc2ncc(-c3cccc4ccccc34)n2n1
InChIInChI=1S/C21H22N4/c1-2-3-6-14-22-20-12-13-21-23-15-19(25(21)24-20)18-11-7-9-16-8-4-5-10-17(16)18/h4-5,7-13,15H,2-3,6,14H2,1H3,(H,22,24)
InChIKeyVNDMZKRUYUBDFB-UHFFFAOYSA-N
XLogP5.15
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine (CID 90388471) is 3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine is CCCCCNc1ccc2ncc(-c3cccc4ccccc34)n2n1.
What is the InChIKey of 3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is VNDMZKRUYUBDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-2-3-6-14-22-20-12-13-21-23-15-19(25(21)24-20)18-11-7-9-16-8-4-5-10-17(16)18/h4-5,7-13,15H,2-3,6,14H2,1H3,(H,22,24).
What are the key properties of 3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine?
3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 330.44 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 90388471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).