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

C7H14N4O — CID 143847965

IUPACethane;5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC.O=c1[nH]nc2n1CCNC2
InChIInChI=1S/C5H8N4O.C2H6/c10-5-8-7-4-3-6-1-2-9(4)5;1-2/h6H,1-3H2,(H,8,10);1-2H3
InChIKeyOYUVGGNEHUVIFR-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.30
Rot. Bonds

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

ethane;5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 143847965) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is ethane;5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Nameethane;5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID143847965
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Nameethane;5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC.O=c1[nH]nc2n1CCNC2
InChIInChI=1S/C5H8N4O.C2H6/c10-5-8-7-4-3-6-1-2-9(4)5;1-2/h6H,1-3H2,(H,8,10);1-2H3
InChIKeyOYUVGGNEHUVIFR-UHFFFAOYSA-N
XLogP-0.30
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
3-(aminomethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 81908907
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

Frequently Asked Questions

What is the IUPAC name of ethane;5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of ethane;5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 143847965) is ethane;5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for ethane;5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for ethane;5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC.O=c1[nH]nc2n1CCNC2.
What is the InChIKey of ethane;5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is OYUVGGNEHUVIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O.C2H6/c10-5-8-7-4-3-6-1-2-9(4)5;1-2/h6H,1-3H2,(H,8,10);1-2H3.
What are the key properties of ethane;5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
ethane;5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 170.22 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 143847965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).