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

C13H19N5 — CID 116822338

IUPAC2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
SMILESNCCc1nnc2ccc(C3CCCCC3)nn12
InChIInChI=1S/C13H19N5/c14-9-8-13-16-15-12-7-6-11(17-18(12)13)10-4-2-1-3-5-10/h6-7,10H,1-5,8-9,14H2
InChIKeyDJTQWUFVBBIRHV-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.67
Rot. Bonds3

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

2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine (PubChem CID 116822338) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
PubChem CID116822338
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
SMILESNCCc1nnc2ccc(C3CCCCC3)nn12
InChIInChI=1S/C13H19N5/c14-9-8-13-16-15-12-7-6-11(17-18(12)13)10-4-2-1-3-5-10/h6-7,10H,1-5,8-9,14H2
InChIKeyDJTQWUFVBBIRHV-UHFFFAOYSA-N
XLogP1.67
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine
CID 116822448
2-(6-cyclopentylimidazo[1,2-b]pyridazin-3-yl)ethanamine
CID 116854597
1-(6-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine
CID 116822454
2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
CID 82167237
2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 116822321
2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 116822333
3-bromo-6-cyclopentylimidazo[1,2-b]pyridazine
CID 116854727
5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine
CID 62043687
2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine
CID 83873587
(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
CID 62043689
2-(2-cycloheptylphenyl)ethanamine
CID 83836329
2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114355495

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine?
The IUPAC name of 2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine (CID 116822338) is 2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine.
What is the SMILES notation for 2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine?
The canonical SMILES for 2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine is NCCc1nnc2ccc(C3CCCCC3)nn12.
What is the InChIKey of 2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine?
The InChIKey is DJTQWUFVBBIRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c14-9-8-13-16-15-12-7-6-11(17-18(12)13)10-4-2-1-3-5-10/h6-7,10H,1-5,8-9,14H2.
What are the key properties of 2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine?
2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine is sourced from PubChem (CID 116822338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).