3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one

C5H8N4O — CID 90996840

IUPAC3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESO=C1CN2CNN=C2CN1
InChIInChI=1S/C5H8N4O/c10-5-2-9-3-7-8-4(9)1-6-5/h7H,1-3H2,(H,6,10)
InChIKeyBVORVYUXKNZHQZ-UHFFFAOYSA-N
MW140.15 g/mol
LogP-1.71
Rot. Bonds

About 3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one

3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 90996840) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID90996840
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESO=C1CN2CNN=C2CN1
InChIInChI=1S/C5H8N4O/c10-5-2-9-3-7-8-4(9)1-6-5/h7H,1-3H2,(H,6,10)
InChIKeyBVORVYUXKNZHQZ-UHFFFAOYSA-N
XLogP-1.71
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of 3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 90996840) is 3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for 3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for 3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one is O=C1CN2CNN=C2CN1.
What is the InChIKey of 3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is BVORVYUXKNZHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c10-5-2-9-3-7-8-4(9)1-6-5/h7H,1-3H2,(H,6,10).
What are the key properties of 3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 140.15 g/mol, XLogP of -1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 90996840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).