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

C7H12N4O — CID 130613912

IUPAC7-ethyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCN1CCn2c(n[nH]c2=O)C1
InChIInChI=1S/C7H12N4O/c1-2-10-3-4-11-6(5-10)8-9-7(11)12/h2-5H2,1H3,(H,9,12)
InChIKeyAISGOLZMKIPPBV-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.59
Rot. Bonds1

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

7-ethyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 130613912) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 7-ethyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-ethyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID130613912
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name7-ethyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCN1CCn2c(n[nH]c2=O)C1
InChIInChI=1S/C7H12N4O/c1-2-10-3-4-11-6(5-10)8-9-7(11)12/h2-5H2,1H3,(H,9,12)
InChIKeyAISGOLZMKIPPBV-UHFFFAOYSA-N
XLogP-0.59
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
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
4-ethyl-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 12235074
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
3-(aminomethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 81908907
7-(2-Fluoroethyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 130619221
5-(piperidin-1-ylmethyl)-4-propyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50958863
7-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ol
CID 89936292
7-Tert-butyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 89949587
7-Propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 126737425
2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 130623014
3-[(dimethylamino)methyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 134470058

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-ethyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 130613912) is 7-ethyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-ethyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-ethyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCN1CCn2c(n[nH]c2=O)C1.
What is the InChIKey of 7-ethyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is AISGOLZMKIPPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-2-10-3-4-11-6(5-10)8-9-7(11)12/h2-5H2,1H3,(H,9,12).
What are the key properties of 7-ethyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-ethyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 168.20 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 130613912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).