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

C19H29N5O2 — CID 110262099

IUPAC1-[3-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2nnc3n2CCN(C(=O)C2CCCCC2)C3)C1
InChIInChI=1S/C19H29N5O2/c1-14(25)22-9-5-8-16(12-22)18-21-20-17-13-23(10-11-24(17)18)19(26)15-6-3-2-4-7-15/h15-16H,2-13H2,1H3
InChIKeyAFFCHUGNBYSXFE-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.93
Rot. Bonds2

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

1-[3-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone (PubChem CID 110262099) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[3-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone
PubChem CID110262099
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-[3-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2nnc3n2CCN(C(=O)C2CCCCC2)C3)C1
InChIInChI=1S/C19H29N5O2/c1-14(25)22-9-5-8-16(12-22)18-21-20-17-13-23(10-11-24(17)18)19(26)15-6-3-2-4-7-15/h15-16H,2-13H2,1H3
InChIKeyAFFCHUGNBYSXFE-UHFFFAOYSA-N
XLogP1.93
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone (CID 110262099) is 1-[3-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2nnc3n2CCN(C(=O)C2CCCCC2)C3)C1.
What is the InChIKey of 1-[3-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone?
The InChIKey is AFFCHUGNBYSXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-14(25)22-9-5-8-16(12-22)18-21-20-17-13-23(10-11-24(17)18)19(26)15-6-3-2-4-7-15/h15-16H,2-13H2,1H3.
What are the key properties of 1-[3-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone?
1-[3-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone has a molecular weight of 359.47 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110262099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).