2-(oxiran-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C8H8N4O2 — CID 66271543

IUPAC2-(oxiran-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CC2CO2)nc2cnccn12
InChIInChI=1S/C8H8N4O2/c13-8-11-2-1-9-3-7(11)10-12(8)4-6-5-14-6/h1-3,6H,4-5H2
InChIKeyZTNYRDXWXPPIJQ-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.71
Rot. Bonds2

About 2-(oxiran-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(oxiran-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271543) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(oxiran-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271543
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name2-(oxiran-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CC2CO2)nc2cnccn12
InChIInChI=1S/C8H8N4O2/c13-8-11-2-1-9-3-7(11)10-12(8)4-6-5-14-6/h1-3,6H,4-5H2
InChIKeyZTNYRDXWXPPIJQ-UHFFFAOYSA-N
XLogP-0.71
TPSA64.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(oxiran-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271543) is 2-(oxiran-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(oxiran-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(oxiran-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CC2CO2)nc2cnccn12.
What is the InChIKey of 2-(oxiran-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is ZTNYRDXWXPPIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c13-8-11-2-1-9-3-7(11)10-12(8)4-6-5-14-6/h1-3,6H,4-5H2.
What are the key properties of 2-(oxiran-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(oxiran-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 192.18 g/mol, XLogP of -0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).