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

C13H16N4 — CID 69364060

IUPAC6-benzyl-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2n1CC(Cc1ccccc1)NC2
InChIInChI=1S/C13H16N4/c1-10-15-16-13-8-14-12(9-17(10)13)7-11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3
InChIKeyQACQWIADERSZIL-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.30
Rot. Bonds2

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

6-benzyl-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 69364060) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-benzyl-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-benzyl-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID69364060
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name6-benzyl-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2n1CC(Cc1ccccc1)NC2
InChIInChI=1S/C13H16N4/c1-10-15-16-13-8-14-12(9-17(10)13)7-11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3
InChIKeyQACQWIADERSZIL-UHFFFAOYSA-N
XLogP1.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-benzyl-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 69364060) is 6-benzyl-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-benzyl-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-benzyl-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Cc1nnc2n1CC(Cc1ccccc1)NC2.
What is the InChIKey of 6-benzyl-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is QACQWIADERSZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-15-16-13-8-14-12(9-17(10)13)7-11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3.
What are the key properties of 6-benzyl-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
6-benzyl-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 228.30 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 69364060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).