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

C9H14N4O2 — CID 58095842

IUPACethyl 7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1nnc2n1CCN(C)C2
InChIInChI=1S/C9H14N4O2/c1-3-15-9(14)8-11-10-7-6-12(2)4-5-13(7)8/h3-6H2,1-2H3
InChIKeyKLQFBGSWLJYERE-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.10
Rot. Bonds2

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

ethyl 7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate (PubChem CID 58095842) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is ethyl 7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
PubChem CID58095842
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Nameethyl 7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1nnc2n1CCN(C)C2
InChIInChI=1S/C9H14N4O2/c1-3-15-9(14)8-11-10-7-6-12(2)4-5-13(7)8/h3-6H2,1-2H3
InChIKeyKLQFBGSWLJYERE-UHFFFAOYSA-N
XLogP-0.10
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The IUPAC name of ethyl 7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate (CID 58095842) is ethyl 7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate is CCOC(=O)c1nnc2n1CCN(C)C2.
What is the InChIKey of ethyl 7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The InChIKey is KLQFBGSWLJYERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-3-15-9(14)8-11-10-7-6-12(2)4-5-13(7)8/h3-6H2,1-2H3.
What are the key properties of ethyl 7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
ethyl 7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate has a molecular weight of 210.24 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate is sourced from PubChem (CID 58095842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).