4-dodecan-6-ylimidazo[2,1-f][1,2,4]triazine

C17H28N4 — CID 130279246

IUPAC4-dodecan-6-ylimidazo[2,1-f][1,2,4]triazine
SMILESCCCCCCC(CCCCC)c1ncnn2ccnc12
InChIInChI=1S/C17H28N4/c1-3-5-7-9-11-15(10-8-6-4-2)16-17-18-12-13-21(17)20-14-19-16/h12-15H,3-11H2,1-2H3
InChIKeyWRTGDIYXWQBBFR-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.76
Rot. Bonds10

About 4-dodecan-6-ylimidazo[2,1-f][1,2,4]triazine

4-dodecan-6-ylimidazo[2,1-f][1,2,4]triazine (PubChem CID 130279246) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-dodecan-6-ylimidazo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-dodecan-6-ylimidazo[2,1-f][1,2,4]triazine
PubChem CID130279246
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4-dodecan-6-ylimidazo[2,1-f][1,2,4]triazine
SMILESCCCCCCC(CCCCC)c1ncnn2ccnc12
InChIInChI=1S/C17H28N4/c1-3-5-7-9-11-15(10-8-6-4-2)16-17-18-12-13-21(17)20-14-19-16/h12-15H,3-11H2,1-2H3
InChIKeyWRTGDIYXWQBBFR-UHFFFAOYSA-N
XLogP4.76
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(5-Cyclopentyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 165415308
2-[2-(5,8-Dimethylimidazo[1,2-a]pyrazin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 72709054
2-[2-(4-Cyclopentyl-1-methylimidazol-2-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 165368462
8-(4,4,4-Trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonitrile
CID 121348331
7-(3-Fluoro-3-methylbutan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 123643894
3-(1,1-Difluoroheptan-4-yl)-8-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 139314193
6-(7,7,7-Trifluoro-2,4-dimethylheptyl)imidazo[1,2-a]pyrazine
CID 174732357
8-Fluoro-2-methyl-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine
CID 176741427
7-[(2-fluorocyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 167637011
7-[cyclohexyl(difluoro)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 167709921
3-Cyclohexyl-6-(5,5-difluoro-2-methylhexyl)-2-methylimidazo[1,2-b][1,2,4]triazine
CID 172271418
2-(Difluoromethyl)-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine
CID 178765537

Frequently Asked Questions

What is the IUPAC name of 4-dodecan-6-ylimidazo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-dodecan-6-ylimidazo[2,1-f][1,2,4]triazine (CID 130279246) is 4-dodecan-6-ylimidazo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-dodecan-6-ylimidazo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-dodecan-6-ylimidazo[2,1-f][1,2,4]triazine is CCCCCCC(CCCCC)c1ncnn2ccnc12.
What is the InChIKey of 4-dodecan-6-ylimidazo[2,1-f][1,2,4]triazine?
The InChIKey is WRTGDIYXWQBBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-5-7-9-11-15(10-8-6-4-2)16-17-18-12-13-21(17)20-14-19-16/h12-15H,3-11H2,1-2H3.
What are the key properties of 4-dodecan-6-ylimidazo[2,1-f][1,2,4]triazine?
4-dodecan-6-ylimidazo[2,1-f][1,2,4]triazine has a molecular weight of 288.44 g/mol, XLogP of 4.76, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecan-6-ylimidazo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 130279246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).