7-benzyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C17H23N5 — CID 134788603

IUPAC7-benzyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc(CN2CCn3c(nnc3C3CCNCC3)C2)cc1
InChIInChI=1S/C17H23N5/c1-2-4-14(5-3-1)12-21-10-11-22-16(13-21)19-20-17(22)15-6-8-18-9-7-15/h1-5,15,18H,6-13H2
InChIKeyHBMJKMMPJQRZHV-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.76
Rot. Bonds3

About 7-benzyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-benzyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134788603) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 7-benzyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-benzyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134788603
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name7-benzyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc(CN2CCn3c(nnc3C3CCNCC3)C2)cc1
InChIInChI=1S/C17H23N5/c1-2-4-14(5-3-1)12-21-10-11-22-16(13-21)19-20-17(22)15-6-8-18-9-7-15/h1-5,15,18H,6-13H2
InChIKeyHBMJKMMPJQRZHV-UHFFFAOYSA-N
XLogP1.76
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-benzyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134788603) is 7-benzyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-benzyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-benzyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is c1ccc(CN2CCn3c(nnc3C3CCNCC3)C2)cc1.
What is the InChIKey of 7-benzyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HBMJKMMPJQRZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-2-4-14(5-3-1)12-21-10-11-22-16(13-21)19-20-17(22)15-6-8-18-9-7-15/h1-5,15,18H,6-13H2.
What are the key properties of 7-benzyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-benzyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 297.41 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 7-benzyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134788603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).