3-benzyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C13H13N5 — CID 10037255

IUPAC3-benzyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCNc1nccn2c(Cc3ccccc3)nnc12
InChIInChI=1S/C13H13N5/c1-14-12-13-17-16-11(18(13)8-7-15-12)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,14,15)
InChIKeyZVIREXOCYDCJJZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.76
Rot. Bonds3

About 3-benzyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-benzyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 10037255) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-benzyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-benzyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID10037255
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-benzyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCNc1nccn2c(Cc3ccccc3)nnc12
InChIInChI=1S/C13H13N5/c1-14-12-13-17-16-11(18(13)8-7-15-12)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,14,15)
InChIKeyZVIREXOCYDCJJZ-UHFFFAOYSA-N
XLogP1.76
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-benzyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 10037255) is 3-benzyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-benzyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-benzyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CNc1nccn2c(Cc3ccccc3)nnc12.
What is the InChIKey of 3-benzyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is ZVIREXOCYDCJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-14-12-13-17-16-11(18(13)8-7-15-12)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of 3-benzyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-benzyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 239.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 10037255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).