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

C9H14N4O2 — CID 66847229

IUPACethyl 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1nnc2n1CCNC2C
InChIInChI=1S/C9H14N4O2/c1-3-15-9(14)8-12-11-7-6(2)10-4-5-13(7)8/h6,10H,3-5H2,1-2H3
InChIKeyTVQUJJFWMCXWCY-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.12
Rot. Bonds2

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

ethyl 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate (PubChem CID 66847229) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is ethyl 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
PubChem CID66847229
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Nameethyl 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1nnc2n1CCNC2C
InChIInChI=1S/C9H14N4O2/c1-3-15-9(14)8-12-11-7-6(2)10-4-5-13(7)8/h6,10H,3-5H2,1-2H3
InChIKeyTVQUJJFWMCXWCY-UHFFFAOYSA-N
XLogP0.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The IUPAC name of ethyl 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate (CID 66847229) is ethyl 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate.
What is the SMILES notation for ethyl 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The canonical SMILES for ethyl 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate is CCOC(=O)c1nnc2n1CCNC2C.
What is the InChIKey of ethyl 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
The InChIKey is TVQUJJFWMCXWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-3-15-9(14)8-12-11-7-6(2)10-4-5-13(7)8/h6,10H,3-5H2,1-2H3.
What are the key properties of ethyl 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate?
ethyl 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate has a molecular weight of 210.24 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate is sourced from PubChem (CID 66847229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).