3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C16H19N5 — CID 70841616

IUPAC3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCCCCc1cnc2ccc(NCc3ccccn3)nn12
InChIInChI=1S/C16H19N5/c1-2-3-7-14-12-19-16-9-8-15(20-21(14)16)18-11-13-6-4-5-10-17-13/h4-6,8-10,12H,2-3,7,11H2,1H3,(H,18,20)
InChIKeyGTMHRYGUSWZGTL-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.08
Rot. Bonds6

About 3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 70841616) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID70841616
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCCCCc1cnc2ccc(NCc3ccccn3)nn12
InChIInChI=1S/C16H19N5/c1-2-3-7-14-12-19-16-9-8-15(20-21(14)16)18-11-13-6-4-5-10-17-13/h4-6,8-10,12H,2-3,7,11H2,1H3,(H,18,20)
InChIKeyGTMHRYGUSWZGTL-UHFFFAOYSA-N
XLogP3.08
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride
CID 68648391
3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 143711795
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857801
3-(cyclohexen-1-yl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 59519568
N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]pentanamide
CID 113041958
N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109110804
2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80777163
3-N-pentyl-5-N-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112951881
6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80946582
3-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857576
3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 59519549
6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66327754

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 70841616) is 3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is CCCCc1cnc2ccc(NCc3ccccn3)nn12.
What is the InChIKey of 3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is GTMHRYGUSWZGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-3-7-14-12-19-16-9-8-15(20-21(14)16)18-11-13-6-4-5-10-17-13/h4-6,8-10,12H,2-3,7,11H2,1H3,(H,18,20).
What are the key properties of 3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 281.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 70841616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).