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

C8H12N4O2 — CID 58465684

IUPACethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc2n(n1)CCNC2
InChIInChI=1S/C8H12N4O2/c1-2-14-8(13)7-10-6-5-9-3-4-12(6)11-7/h9H,2-5H2,1H3
InChIKeyBVFLUANJWRSBEV-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.44
Rot. Bonds2

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

ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 58465684) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID58465684
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Nameethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc2n(n1)CCNC2
InChIInChI=1S/C8H12N4O2/c1-2-14-8(13)7-10-6-5-9-3-4-12(6)11-7/h9H,2-5H2,1H3
InChIKeyBVFLUANJWRSBEV-UHFFFAOYSA-N
XLogP-0.44
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate (CID 58465684) is ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1nc2n(n1)CCNC2.
What is the InChIKey of ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is BVFLUANJWRSBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-14-8(13)7-10-6-5-9-3-4-12(6)11-7/h9H,2-5H2,1H3.
What are the key properties of ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate?
ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 196.21 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 58465684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).