7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C8H12N4O — CID 64576294

IUPAC7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1nnc2n1CCN(CC1CO1)C2
InChIInChI=1S/C8H12N4O/c1-2-12-6-9-10-8(12)4-11(1)3-7-5-13-7/h6-7H,1-5H2
InChIKeyYEZZBXSFMDLXPY-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.51
Rot. Bonds2

About 7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 64576294) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID64576294
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1nnc2n1CCN(CC1CO1)C2
InChIInChI=1S/C8H12N4O/c1-2-12-6-9-10-8(12)4-11(1)3-7-5-13-7/h6-7H,1-5H2
InChIKeyYEZZBXSFMDLXPY-UHFFFAOYSA-N
XLogP-0.51
TPSA46.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 64576294) is 7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is c1nnc2n1CCN(CC1CO1)C2.
What is the InChIKey of 7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is YEZZBXSFMDLXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-2-12-6-9-10-8(12)4-11(1)3-7-5-13-7/h6-7H,1-5H2.
What are the key properties of 7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 180.21 g/mol, XLogP of -0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxiran-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 64576294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).