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

C8H12N4O3 — CID 79348731

IUPAC2-hydroxyethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
SMILESO=C(OCCO)N1CCn2cnnc2C1
InChIInChI=1S/C8H12N4O3/c13-3-4-15-8(14)11-1-2-12-6-9-10-7(12)5-11/h6,13H,1-5H2
InChIKeySABADRGQECKUPK-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.78
Rot. Bonds2

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

2-hydroxyethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (PubChem CID 79348731) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-hydroxyethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
PubChem CID79348731
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-hydroxyethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
SMILESO=C(OCCO)N1CCn2cnnc2C1
InChIInChI=1S/C8H12N4O3/c13-3-4-15-8(14)11-1-2-12-6-9-10-7(12)5-11/h6,13H,1-5H2
InChIKeySABADRGQECKUPK-UHFFFAOYSA-N
XLogP-0.78
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-hydroxyethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-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 2-hydroxyethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The IUPAC name of 2-hydroxyethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (CID 79348731) is 2-hydroxyethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The canonical SMILES for 2-hydroxyethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is O=C(OCCO)N1CCn2cnnc2C1.
What is the InChIKey of 2-hydroxyethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
The InChIKey is SABADRGQECKUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c13-3-4-15-8(14)11-1-2-12-6-9-10-7(12)5-11/h6,13H,1-5H2.
What are the key properties of 2-hydroxyethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?
2-hydroxyethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate has a molecular weight of 212.21 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is sourced from PubChem (CID 79348731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).