[6-(2-triethylsilylethynyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine

C14H21N5Si — CID 141201394

IUPAC[6-(2-triethylsilylethynyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine
SMILESCC[Si](C#Cc1ccc2nnc(CN)n2n1)(CC)CC
InChIInChI=1S/C14H21N5Si/c1-4-20(5-2,6-3)10-9-12-7-8-13-16-17-14(11-15)19(13)18-12/h7-8H,4-6,11,15H2,1-3H3
InChIKeyYSHNXUIERULHLX-UHFFFAOYSA-N
MW287.44 g/mol
LogP1.98
Rot. Bonds4

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

[6-(2-triethylsilylethynyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine (PubChem CID 141201394) has the molecular formula C14H21N5Si and a molecular weight of 287.44 g/mol. Its IUPAC name is [6-(2-triethylsilylethynyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(2-triethylsilylethynyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine
PubChem CID141201394
Molecular FormulaC14H21N5Si
Molecular Weight287.44 g/mol
Exact Mass287.16
IUPAC Name[6-(2-triethylsilylethynyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine
SMILESCC[Si](C#Cc1ccc2nnc(CN)n2n1)(CC)CC
InChIInChI=1S/C14H21N5Si/c1-4-20(5-2,6-3)10-9-12-7-8-13-16-17-14(11-15)19(13)18-12/h7-8H,4-6,11,15H2,1-3H3
InChIKeyYSHNXUIERULHLX-UHFFFAOYSA-N
XLogP1.98
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
CID 62043689
[6-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine
CID 116822418
acetic acid;(6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine;hydrochloride
CID 138987949
(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
CID 13134095
2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 116822321
[6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine
CID 116822398
3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 141276323
(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine
CID 115027905
5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine
CID 62043687
[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine
CID 113313955
6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 58136866
4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline
CID 62042167

Frequently Asked Questions

What is the IUPAC name of [6-(2-triethylsilylethynyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine?
The IUPAC name of [6-(2-triethylsilylethynyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine (CID 141201394) is [6-(2-triethylsilylethynyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine.
What is the SMILES notation for [6-(2-triethylsilylethynyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine?
The canonical SMILES for [6-(2-triethylsilylethynyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine is CC[Si](C#Cc1ccc2nnc(CN)n2n1)(CC)CC.
What is the InChIKey of [6-(2-triethylsilylethynyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine?
The InChIKey is YSHNXUIERULHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5Si/c1-4-20(5-2,6-3)10-9-12-7-8-13-16-17-14(11-15)19(13)18-12/h7-8H,4-6,11,15H2,1-3H3.
What are the key properties of [6-(2-triethylsilylethynyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine?
[6-(2-triethylsilylethynyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine has a molecular weight of 287.44 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-triethylsilylethynyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine is sourced from PubChem (CID 141201394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).