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

C10H16N4O2 — CID 58095881

IUPACethyl 7,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1nnc2n1CCN(C)C2C
InChIInChI=1S/C10H16N4O2/c1-4-16-10(15)9-12-11-8-7(2)13(3)5-6-14(8)9/h7H,4-6H2,1-3H3
InChIKeyJAVGGTBUWGALRT-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.46
Rot. Bonds2

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

ethyl 7,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate (PubChem CID 58095881) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 7,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
PubChem CID58095881
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Nameethyl 7,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1nnc2n1CCN(C)C2C
InChIInChI=1S/C10H16N4O2/c1-4-16-10(15)9-12-11-8-7(2)13(3)5-6-14(8)9/h7H,4-6H2,1-3H3
InChIKeyJAVGGTBUWGALRT-UHFFFAOYSA-N
XLogP0.46
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 7,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 7,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The IUPAC name of ethyl 7,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate (CID 58095881) is ethyl 7,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate.
What is the SMILES notation for ethyl 7,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The canonical SMILES for ethyl 7,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate is CCOC(=O)c1nnc2n1CCN(C)C2C.
What is the InChIKey of ethyl 7,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The InChIKey is JAVGGTBUWGALRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-16-10(15)9-12-11-8-7(2)13(3)5-6-14(8)9/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 7,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
ethyl 7,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate is sourced from PubChem (CID 58095881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).