7-ethyl-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

C7H10N4O2 — CID 75176119

IUPAC7-ethyl-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESCCN1CCn2c(n[nH]c2=O)C1=O
InChIInChI=1S/C7H10N4O2/c1-2-10-3-4-11-5(6(10)12)8-9-7(11)13/h2-4H2,1H3,(H,9,13)
InChIKeyVLNMMPIITALVCB-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.95
Rot. Bonds1

About 7-ethyl-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

7-ethyl-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (PubChem CID 75176119) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 7-ethyl-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.

Molecular Properties

Compound Name7-ethyl-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
PubChem CID75176119
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name7-ethyl-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESCCN1CCn2c(n[nH]c2=O)C1=O
InChIInChI=1S/C7H10N4O2/c1-2-10-3-4-11-5(6(10)12)8-9-7(11)13/h2-4H2,1H3,(H,9,13)
InChIKeyVLNMMPIITALVCB-UHFFFAOYSA-N
XLogP-0.95
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylpiperazin-1-yl)-2H-1,2,4-triazine-3,5-dione
CID 2006407
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
7-Ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ol
CID 130613912
7-(2-Methylpropanoyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 172548506
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N,N-dimethylacetamide
CID 43410655
6-(diethylamino)-2H-1,2,4-triazine-3,5-dione
CID 52167200
2-(3-Oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
CID 66271702
N-ethyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
CID 66272343
N,N-dimethyl-2-{3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazin-2-yl}acetamide
CID 66273200
N-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
CID 66273626
3-(Piperazine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136314573

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The IUPAC name of 7-ethyl-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (CID 75176119) is 7-ethyl-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.
What is the SMILES notation for 7-ethyl-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The canonical SMILES for 7-ethyl-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is CCN1CCn2c(n[nH]c2=O)C1=O.
What is the InChIKey of 7-ethyl-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The InChIKey is VLNMMPIITALVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-2-10-3-4-11-5(6(10)12)8-9-7(11)13/h2-4H2,1H3,(H,9,13).
What are the key properties of 7-ethyl-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
7-ethyl-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione has a molecular weight of 182.18 g/mol, XLogP of -0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is sourced from PubChem (CID 75176119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).