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

C12H14N4 — CID 46941623

IUPAC3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc(Cc2nnc3n2CCNC3)cc1
InChIInChI=1S/C12H14N4/c1-2-4-10(5-3-1)8-11-14-15-12-9-13-6-7-16(11)12/h1-5,13H,6-9H2
InChIKeyUIEIJYMITLIXQW-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.97
Rot. Bonds2

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

3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 46941623) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID46941623
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc(Cc2nnc3n2CCNC3)cc1
InChIInChI=1S/C12H14N4/c1-2-4-10(5-3-1)8-11-14-15-12-9-13-6-7-16(11)12/h1-5,13H,6-9H2
InChIKeyUIEIJYMITLIXQW-UHFFFAOYSA-N
XLogP0.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine 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 3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 46941623) is 3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is c1ccc(Cc2nnc3n2CCNC3)cc1.
What is the InChIKey of 3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is UIEIJYMITLIXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-4-10(5-3-1)8-11-14-15-12-9-13-6-7-16(11)12/h1-5,13H,6-9H2.
What are the key properties of 3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 214.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 46941623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).