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

C5H9ClN4O — CID 133057590

IUPAC5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride
SMILESCl.O=c1[nH]nc2n1CCNC2
InChIInChI=1S/C5H8N4O.ClH/c10-5-8-7-4-3-6-1-2-9(4)5;/h6H,1-3H2,(H,8,10);1H
InChIKeyCYNCXIRYENDRCW-UHFFFAOYSA-N
MW176.61 g/mol
LogP-0.90
Rot. Bonds

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

5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride (PubChem CID 133057590) has the molecular formula C5H9ClN4O and a molecular weight of 176.61 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride
PubChem CID133057590
Molecular FormulaC5H9ClN4O
Molecular Weight176.61 g/mol
Exact Mass176.05
IUPAC Name5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride
SMILESCl.O=c1[nH]nc2n1CCNC2
InChIInChI=1S/C5H8N4O.ClH/c10-5-8-7-4-3-6-1-2-9(4)5;/h6H,1-3H2,(H,8,10);1H
InChIKeyCYNCXIRYENDRCW-UHFFFAOYSA-N
XLogP-0.90
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.61
LogP ≤ 5-0.90
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;hydrochloride with MolForge

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Related Compounds

2H,3H,5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)piperazin-3-one
CID 55300589
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
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;hydrochloride?
The IUPAC name of 5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride (CID 133057590) is 5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride is Cl.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;hydrochloride?
The InChIKey is CYNCXIRYENDRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O.ClH/c10-5-8-7-4-3-6-1-2-9(4)5;/h6H,1-3H2,(H,8,10);1H.
What are the key properties of 5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride?
5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride has a molecular weight of 176.61 g/mol, XLogP of -0.90, 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;hydrochloride is sourced from PubChem (CID 133057590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).