8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine

C11H16N4O — CID 125496106

IUPAC8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCCCCOc1nccn2cnnc12
InChIInChI=1S/C11H16N4O/c1-2-3-4-5-8-16-11-10-14-13-9-15(10)7-6-12-11/h6-7,9H,2-5,8H2,1H3
InChIKeyHFRBMZDRMXEJFT-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.08
Rot. Bonds6

About 8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine

8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 125496106) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID125496106
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCCCCOc1nccn2cnnc12
InChIInChI=1S/C11H16N4O/c1-2-3-4-5-8-16-11-10-14-13-9-15(10)7-6-12-11/h6-7,9H,2-5,8H2,1H3
InChIKeyHFRBMZDRMXEJFT-UHFFFAOYSA-N
XLogP2.08
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yloxy)butan-2-amine
CID 64571280
8-heptoxyimidazo[1,2-a]pyrazin-6-amine
CID 80861684
(8-hexoxyimidazo[1,2-a]pyrazin-6-yl)hydrazine
CID 80909859
8-heptoxy-N-propylimidazo[1,2-a]pyrazin-6-amine
CID 80842087
2-N-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)hexane-1,2-diamine
CID 80704149
8-(8-azabicyclo[3.2.1]octan-3-yloxy)-[1,2,4]triazolo[4,3-a]pyrazine
CID 114199742
2,3-didecoxypyridine
CID 151922374
N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 104925632
8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine
CID 83235428
N-(4-methoxy-2,2-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 104624030
2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid
CID 104572053
N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65030166

Frequently Asked Questions

What is the IUPAC name of 8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine (CID 125496106) is 8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine is CCCCCCOc1nccn2cnnc12.
What is the InChIKey of 8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HFRBMZDRMXEJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-3-4-5-8-16-11-10-14-13-9-15(10)7-6-12-11/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine?
8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 220.28 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexoxy-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 125496106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).