3-(2-benzylpiperidin-1-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine

C17H18ClN5 — CID 139295598

IUPAC3-(2-benzylpiperidin-1-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1nccn2c(N3CCCCC3Cc3ccccc3)nnc12
InChIInChI=1S/C17H18ClN5/c18-15-16-20-21-17(23(16)11-9-19-15)22-10-5-4-8-14(22)12-13-6-2-1-3-7-13/h1-3,6-7,9,11,14H,4-5,8,10,12H2
InChIKeyCXIHEAZUXOANDW-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.38
Rot. Bonds3

About 3-(2-benzylpiperidin-1-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine

3-(2-benzylpiperidin-1-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 139295598) has the molecular formula C17H18ClN5 and a molecular weight of 327.82 g/mol. Its IUPAC name is 3-(2-benzylpiperidin-1-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2-benzylpiperidin-1-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID139295598
Molecular FormulaC17H18ClN5
Molecular Weight327.82 g/mol
Exact Mass327.13
IUPAC Name3-(2-benzylpiperidin-1-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1nccn2c(N3CCCCC3Cc3ccccc3)nnc12
InChIInChI=1S/C17H18ClN5/c18-15-16-20-21-17(23(16)11-9-19-15)22-10-5-4-8-14(22)12-13-6-2-1-3-7-13/h1-3,6-7,9,11,14H,4-5,8,10,12H2
InChIKeyCXIHEAZUXOANDW-UHFFFAOYSA-N
XLogP3.38
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295709
8-chloro-3-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 139294883
(2S)-2-benzyl-1-propylpiperidine
CID 97355928
5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 12764882
2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine
CID 78848726
2-benzyl-1-[3-(2,2-dimethylpropyl)phenyl]piperidine
CID 160880008
CID 86235526
CID 86235526
2-(2-chloroethyl)-1-(2-phenylethyl)piperidine
CID 63387052
2-benzyl-1-phenylazetidine
CID 163998842
2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine
CID 63392298
2-benzyl-1-(cyclohexylmethyl)piperidine
CID 71326049
3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
CID 97214231

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzylpiperidin-1-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2-benzylpiperidin-1-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine (CID 139295598) is 3-(2-benzylpiperidin-1-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2-benzylpiperidin-1-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2-benzylpiperidin-1-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine is Clc1nccn2c(N3CCCCC3Cc3ccccc3)nnc12.
What is the InChIKey of 3-(2-benzylpiperidin-1-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CXIHEAZUXOANDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5/c18-15-16-20-21-17(23(16)11-9-19-15)22-10-5-4-8-14(22)12-13-6-2-1-3-7-13/h1-3,6-7,9,11,14H,4-5,8,10,12H2.
What are the key properties of 3-(2-benzylpiperidin-1-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2-benzylpiperidin-1-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 327.82 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzylpiperidin-1-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 139295598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).