2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

C13H17N5O3 — CID 75528589

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESCCN1CCn2c(nn(Cc3c(C)noc3C)c2=O)C1=O
InChIInChI=1S/C13H17N5O3/c1-4-16-5-6-17-11(12(16)19)14-18(13(17)20)7-10-8(2)15-21-9(10)3/h4-7H2,1-3H3
InChIKeyVLKXBMAHBYTQKM-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.17
Rot. Bonds3

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (PubChem CID 75528589) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
PubChem CID75528589
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESCCN1CCn2c(nn(Cc3c(C)noc3C)c2=O)C1=O
InChIInChI=1S/C13H17N5O3/c1-4-16-5-6-17-11(12(16)19)14-18(13(17)20)7-10-8(2)15-21-9(10)3/h4-7H2,1-3H3
InChIKeyVLKXBMAHBYTQKM-UHFFFAOYSA-N
XLogP0.17
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione with MolForge

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Related Compounds

2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-methylphenyl)acetamide
CID 75528597
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione
CID 121224616
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide
CID 51078843
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-propyl-1,4-diazepane-2,5-dione
CID 79238567
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 43647767
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]acetonitrile
CID 82143610
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 121184211
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione
CID 18166074
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one
CID 115679422
(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97399153
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one
CID 86263915

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (CID 75528589) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is CCN1CCn2c(nn(Cc3c(C)noc3C)c2=O)C1=O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The InChIKey is VLKXBMAHBYTQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-4-16-5-6-17-11(12(16)19)14-18(13(17)20)7-10-8(2)15-21-9(10)3/h4-7H2,1-3H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione has a molecular weight of 291.31 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is sourced from PubChem (CID 75528589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).