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

C9H18N4O — CID 143847947

IUPACethane;2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC.CCn1nc2n(c1=O)CCNC2
InChIInChI=1S/C7H12N4O.C2H6/c1-2-11-7(12)10-4-3-8-5-6(10)9-11;1-2/h8H,2-5H2,1H3;1-2H3
InChIKeyOCSMNZXJQHWLFC-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.19
Rot. Bonds1

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

ethane;2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 143847947) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is ethane;2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Nameethane;2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID143847947
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Nameethane;2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC.CCn1nc2n(c1=O)CCNC2
InChIInChI=1S/C7H12N4O.C2H6/c1-2-11-7(12)10-4-3-8-5-6(10)9-11;1-2/h8H,2-5H2,1H3;1-2H3
InChIKeyOCSMNZXJQHWLFC-UHFFFAOYSA-N
XLogP0.19
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(3,3,3-Trifluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272131
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
2-(2,2,3,3-Tetrafluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 112741532
2-(4,4,4-Trifluorobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 115519652
4-Ethyl-2-piperazin-1-yl-1,2,4-triazol-3-one
CID 67714360

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of ethane;2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 143847947) is ethane;2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for ethane;2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for ethane;2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC.CCn1nc2n(c1=O)CCNC2.
What is the InChIKey of ethane;2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is OCSMNZXJQHWLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.C2H6/c1-2-11-7(12)10-4-3-8-5-6(10)9-11;1-2/h8H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
ethane;2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 198.27 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 143847947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).