3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C18H21N5 — CID 59519549

IUPAC3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCCCC/C=C/c1cnc2ccc(NCc3ccncc3)nn12
InChIInChI=1S/C18H21N5/c1-2-3-4-5-6-16-14-21-18-8-7-17(22-23(16)18)20-13-15-9-11-19-12-10-15/h5-12,14H,2-4,13H2,1H3,(H,20,22)/b6-5+
InChIKeyQYIMXWWGSOHNDU-AATRIKPKSA-N
MW307.40 g/mol
LogP3.94
Rot. Bonds7

About 3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 59519549) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID59519549
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCCCC/C=C/c1cnc2ccc(NCc3ccncc3)nn12
InChIInChI=1S/C18H21N5/c1-2-3-4-5-6-16-14-21-18-8-7-17(22-23(16)18)20-13-15-9-11-19-12-10-15/h5-12,14H,2-4,13H2,1H3,(H,20,22)/b6-5+
InChIKeyQYIMXWWGSOHNDU-AATRIKPKSA-N
XLogP3.94
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 59519549) is 3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is CCCC/C=C/c1cnc2ccc(NCc3ccncc3)nn12.
What is the InChIKey of 3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is QYIMXWWGSOHNDU-AATRIKPKSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-3-4-5-6-16-14-21-18-8-7-17(22-23(16)18)20-13-15-9-11-19-12-10-15/h5-12,14H,2-4,13H2,1H3,(H,20,22)/b6-5+.
What are the key properties of 3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 307.40 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 59519549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).