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

C5H8N4O — CID 55300589

IUPAC5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1[nH]nc2n1CCNC2
InChIInChI=1S/C5H8N4O/c10-5-8-7-4-3-6-1-2-9(4)5/h6H,1-3H2,(H,8,10)
InChIKeySWOTWEKUILBXMG-UHFFFAOYSA-N
MW140.15 g/mol
LogP-1.33
Rot. Bonds

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

5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 55300589) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID55300589
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1[nH]nc2n1CCNC2
InChIInChI=1S/C5H8N4O/c10-5-8-7-4-3-6-1-2-9(4)5/h6H,1-3H2,(H,8,10)
InChIKeySWOTWEKUILBXMG-UHFFFAOYSA-N
XLogP-1.33
TPSA62.71 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 ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazin-3-one
CID 66274045
2-methyl-2H,3H,5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazin-3-one hydrochloride
CID 132344533
2-(2,2-difluoroethyl)-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazin-3-one
CID 66271273
2-(2,2,2-Trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272561
2-(Difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66281223
2-(2-Fluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 80696332
2-(3-Fluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 81109804
7-(2-Fluoroethyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 130619221
4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one
CID 67714362
2,3,5,6,7,8-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 70311392
7-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ol
CID 89936292
3,5,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 90996840

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 55300589) is 5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1[nH]nc2n1CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is SWOTWEKUILBXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c10-5-8-7-4-3-6-1-2-9(4)5/h6H,1-3H2,(H,8,10).
What are the key properties of 5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 140.15 g/mol, XLogP of -1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 55300589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).