[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone

C19H26N6O — CID 164700362

IUPAC[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone
SMILESC[C@H]1CN(C(=O)[C@@H]2CNCCN2)Cc2nnc(CCc3ccccc3)n21
InChIInChI=1S/C19H26N6O/c1-14-12-24(19(26)16-11-20-9-10-21-16)13-18-23-22-17(25(14)18)8-7-15-5-3-2-4-6-15/h2-6,14,16,20-21H,7-13H2,1H3/t14-,16-/m0/s1
InChIKeyAQCIQODPHISOJE-HOCLYGCPSA-N
MW354.46 g/mol
LogP0.53
Rot. Bonds4

About [(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone

[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone (PubChem CID 164700362) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is [(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone.

Molecular Properties

Compound Name[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone
PubChem CID164700362
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone
SMILESC[C@H]1CN(C(=O)[C@@H]2CNCCN2)Cc2nnc(CCc3ccccc3)n21
InChIInChI=1S/C19H26N6O/c1-14-12-24(19(26)16-11-20-9-10-21-16)13-18-23-22-17(25(14)18)8-7-15-5-3-2-4-6-15/h2-6,14,16,20-21H,7-13H2,1H3/t14-,16-/m0/s1
InChIKeyAQCIQODPHISOJE-HOCLYGCPSA-N
XLogP0.53
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone?
The IUPAC name of [(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone (CID 164700362) is [(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone.
What is the SMILES notation for [(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone?
The canonical SMILES for [(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone is C[C@H]1CN(C(=O)[C@@H]2CNCCN2)Cc2nnc(CCc3ccccc3)n21.
What is the InChIKey of [(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone?
The InChIKey is AQCIQODPHISOJE-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H26N6O/c1-14-12-24(19(26)16-11-20-9-10-21-16)13-18-23-22-17(25(14)18)8-7-15-5-3-2-4-6-15/h2-6,14,16,20-21H,7-13H2,1H3/t14-,16-/m0/s1.
What are the key properties of [(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone?
[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone has a molecular weight of 354.46 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone is sourced from PubChem (CID 164700362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).