2-(6-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C11H16N4O2 — CID 107705154

IUPAC2-(6-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCCCCCO)nc2cnccn12
InChIInChI=1S/C11H16N4O2/c16-8-4-2-1-3-6-15-11(17)14-7-5-12-9-10(14)13-15/h5,7,9,16H,1-4,6,8H2
InChIKeyAVRSYTZOJCQGRE-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.44
Rot. Bonds6

About 2-(6-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(6-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 107705154) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(6-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(6-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID107705154
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-(6-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCCCCCO)nc2cnccn12
InChIInChI=1S/C11H16N4O2/c16-8-4-2-1-3-6-15-11(17)14-7-5-12-9-10(14)13-15/h5,7,9,16H,1-4,6,8H2
InChIKeyAVRSYTZOJCQGRE-UHFFFAOYSA-N
XLogP0.44
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(6-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 107705154) is 2-(6-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(6-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(6-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CCCCCCO)nc2cnccn12.
What is the InChIKey of 2-(6-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is AVRSYTZOJCQGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-8-4-2-1-3-6-15-11(17)14-7-5-12-9-10(14)13-15/h5,7,9,16H,1-4,6,8H2.
What are the key properties of 2-(6-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(6-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 236.27 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 107705154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).