2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine

C11H17N5 — CID 116822321

IUPAC2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
SMILESCC(C)Cc1ccc2nnc(CCN)n2n1
InChIInChI=1S/C11H17N5/c1-8(2)7-9-3-4-10-13-14-11(5-6-12)16(10)15-9/h3-4,8H,5-7,12H2,1-2H3
InChIKeyFVSIZECEQKGILQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.82
Rot. Bonds4

About 2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine

2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine (PubChem CID 116822321) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
PubChem CID116822321
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
SMILESCC(C)Cc1ccc2nnc(CCN)n2n1
InChIInChI=1S/C11H17N5/c1-8(2)7-9-3-4-10-13-14-11(5-6-12)16(10)15-9/h3-4,8H,5-7,12H2,1-2H3
InChIKeyFVSIZECEQKGILQ-UHFFFAOYSA-N
XLogP0.82
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoic acid
CID 116822458
2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
CID 82167237
6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 116822470
2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
CID 116822338
(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
CID 62043689
2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 116822333
5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine
CID 62043687
1-[3-bromo-6-(2-methylpropyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine
CID 116821842
3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 141276323
6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 58136866
[6-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine
CID 116822418
2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 82058702

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine?
The IUPAC name of 2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine (CID 116822321) is 2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine.
What is the SMILES notation for 2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine?
The canonical SMILES for 2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine is CC(C)Cc1ccc2nnc(CCN)n2n1.
What is the InChIKey of 2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine?
The InChIKey is FVSIZECEQKGILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8(2)7-9-3-4-10-13-14-11(5-6-12)16(10)15-9/h3-4,8H,5-7,12H2,1-2H3.
What are the key properties of 2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine?
2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine has a molecular weight of 219.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine is sourced from PubChem (CID 116822321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).