2-(5-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C10H14N4O2 — CID 66271335

IUPAC2-(5-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCCCCO)nc2cnccn12
InChIInChI=1S/C10H14N4O2/c15-7-3-1-2-5-14-10(16)13-6-4-11-8-9(13)12-14/h4,6,8,15H,1-3,5,7H2
InChIKeyZEWSDVAGVFIFFC-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.05
Rot. Bonds5

About 2-(5-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(5-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271335) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(5-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(5-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271335
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-(5-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCCCCO)nc2cnccn12
InChIInChI=1S/C10H14N4O2/c15-7-3-1-2-5-14-10(16)13-6-4-11-8-9(13)12-14/h4,6,8,15H,1-3,5,7H2
InChIKeyZEWSDVAGVFIFFC-UHFFFAOYSA-N
XLogP0.05
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.05
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-(5-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(5-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271335) is 2-(5-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(5-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(5-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CCCCCO)nc2cnccn12.
What is the InChIKey of 2-(5-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is ZEWSDVAGVFIFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-7-3-1-2-5-14-10(16)13-6-4-11-8-9(13)12-14/h4,6,8,15H,1-3,5,7H2.
What are the key properties of 2-(5-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(5-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 222.25 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).