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

C19H17N5 — CID 143711795

IUPAC3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(-c2cnc3ccc(NCc4ccccn4)nn23)cc1
InChIInChI=1S/C19H17N5/c1-14-5-7-15(8-6-14)17-13-22-19-10-9-18(23-24(17)19)21-12-16-4-2-3-11-20-16/h2-11,13H,12H2,1H3,(H,21,23)
InChIKeyVNFFZOLCKIPKSW-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.71
Rot. Bonds4

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

3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 143711795) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID143711795
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(-c2cnc3ccc(NCc4ccccn4)nn23)cc1
InChIInChI=1S/C19H17N5/c1-14-5-7-15(8-6-14)17-13-22-19-10-9-18(23-24(17)19)21-12-16-4-2-3-11-20-16/h2-11,13H,12H2,1H3,(H,21,23)
InChIKeyVNFFZOLCKIPKSW-UHFFFAOYSA-N
XLogP3.71
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 70841616
3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride
CID 68648391
3-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857576
4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 122179540
N-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine
CID 126475848
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 44580233
N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine
CID 123679403
4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923088
[4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 58857573
3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 157462785

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 143711795) is 3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is Cc1ccc(-c2cnc3ccc(NCc4ccccn4)nn23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is VNFFZOLCKIPKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-14-5-7-15(8-6-14)17-13-22-19-10-9-18(23-24(17)19)21-12-16-4-2-3-11-20-16/h2-11,13H,12H2,1H3,(H,21,23).
What are the key properties of 3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 315.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 143711795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).