3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine

C11H12N4 — CID 56972876

IUPAC3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine
SMILESc1ccc(-c2nnn3c2CNCC3)cc1
InChIInChI=1S/C11H12N4/c1-2-4-9(5-3-1)11-10-8-12-6-7-15(10)14-13-11/h1-5,12H,6-8H2
InChIKeyUXLGEEMSNUNLHX-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.05
Rot. Bonds1

About 3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine

3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine (PubChem CID 56972876) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine
PubChem CID56972876
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine
SMILESc1ccc(-c2nnn3c2CNCC3)cc1
InChIInChI=1S/C11H12N4/c1-2-4-9(5-3-1)11-10-8-12-6-7-15(10)14-13-11/h1-5,12H,6-8H2
InChIKeyUXLGEEMSNUNLHX-UHFFFAOYSA-N
XLogP1.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine?
The IUPAC name of 3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine (CID 56972876) is 3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine.
What is the SMILES notation for 3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine?
The canonical SMILES for 3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine is c1ccc(-c2nnn3c2CNCC3)cc1.
What is the InChIKey of 3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine?
The InChIKey is UXLGEEMSNUNLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-4-9(5-3-1)11-10-8-12-6-7-15(10)14-13-11/h1-5,12H,6-8H2.
What are the key properties of 3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine?
3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine has a molecular weight of 200.25 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine is sourced from PubChem (CID 56972876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).