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

C14H21N5O2 — CID 110263643

IUPAC1-[3-(1-acetylpiperidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(nnc2C2CCCCN2C(C)=O)C1
InChIInChI=1S/C14H21N5O2/c1-10(20)17-7-8-19-13(9-17)15-16-14(19)12-5-3-4-6-18(12)11(2)21/h12H,3-9H2,1-2H3
InChIKeyYUPHLDVWWKAPND-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.71
Rot. Bonds1

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

1-[3-(1-acetylpiperidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (PubChem CID 110263643) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[3-(1-acetylpiperidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[3-(1-acetylpiperidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
PubChem CID110263643
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-[3-(1-acetylpiperidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(nnc2C2CCCCN2C(C)=O)C1
InChIInChI=1S/C14H21N5O2/c1-10(20)17-7-8-19-13(9-17)15-16-14(19)12-5-3-4-6-18(12)11(2)21/h12H,3-9H2,1-2H3
InChIKeyYUPHLDVWWKAPND-UHFFFAOYSA-N
XLogP0.71
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylamino)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 53567422
2-[cyclopropyl(methyl)amino]-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 53570704
N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 75443339
N-propan-2-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 118740588
1-[2-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 118740590
1-[4-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 66509695
1-[3-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 66509703
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 47228579
1-[3-(Propan-2-YL)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-A]pyrazin-7-YL]pentan-1-one
CID 53193646
1-(2-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl)ethanone
CID 66509713
4-Amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]butan-1-one
CID 134788961
3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperidin-1-ylpropan-1-one
CID 53566943

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-acetylpiperidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[3-(1-acetylpiperidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (CID 110263643) is 1-[3-(1-acetylpiperidin-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-acetylpiperidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[3-(1-acetylpiperidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(nnc2C2CCCCN2C(C)=O)C1.
What is the InChIKey of 1-[3-(1-acetylpiperidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The InChIKey is YUPHLDVWWKAPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-10(20)17-7-8-19-13(9-17)15-16-14(19)12-5-3-4-6-18(12)11(2)21/h12H,3-9H2,1-2H3.
What are the key properties of 1-[3-(1-acetylpiperidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
1-[3-(1-acetylpiperidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone has a molecular weight of 291.35 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-acetylpiperidin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 110263643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).