1-[3-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

C19H24ClN5O — CID 110263646

IUPAC1-[3-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(nnc2C2CCCCN2Cc2ccccc2Cl)C1
InChIInChI=1S/C19H24ClN5O/c1-14(26)23-10-11-25-18(13-23)21-22-19(25)17-8-4-5-9-24(17)12-15-6-2-3-7-16(15)20/h2-3,6-7,17H,4-5,8-13H2,1H3
InChIKeyQZLRKLOKMKDEGC-UHFFFAOYSA-N
MW373.89 g/mol
LogP3.02
Rot. Bonds3

About 1-[3-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

1-[3-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (PubChem CID 110263646) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is 1-[3-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[3-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
PubChem CID110263646
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name1-[3-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(nnc2C2CCCCN2Cc2ccccc2Cl)C1
InChIInChI=1S/C19H24ClN5O/c1-14(26)23-10-11-25-18(13-23)21-22-19(25)17-8-4-5-9-24(17)12-15-6-2-3-7-16(15)20/h2-3,6-7,17H,4-5,8-13H2,1H3
InChIKeyQZLRKLOKMKDEGC-UHFFFAOYSA-N
XLogP3.02
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[3-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (CID 110263646) is 1-[3-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-[3-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[3-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(nnc2C2CCCCN2Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[3-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The InChIKey is QZLRKLOKMKDEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-14(26)23-10-11-25-18(13-23)21-22-19(25)17-8-4-5-9-24(17)12-15-6-2-3-7-16(15)20/h2-3,6-7,17H,4-5,8-13H2,1H3.
What are the key properties of 1-[3-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
1-[3-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone has a molecular weight of 373.89 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 110263646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).