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

C17H22N4O2 — CID 56778787

IUPAC1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-phenylethoxy)ethanone
SMILESCCc1nnc2n1CCN(C(=O)COCCc1ccccc1)C2
InChIInChI=1S/C17H22N4O2/c1-2-15-18-19-16-12-20(9-10-21(15)16)17(22)13-23-11-8-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyNBIMQQFNWZZRFW-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.44
Rot. Bonds6

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

1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-phenylethoxy)ethanone (PubChem CID 56778787) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-phenylethoxy)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-phenylethoxy)ethanone
PubChem CID56778787
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-phenylethoxy)ethanone
SMILESCCc1nnc2n1CCN(C(=O)COCCc1ccccc1)C2
InChIInChI=1S/C17H22N4O2/c1-2-15-18-19-16-12-20(9-10-21(15)16)17(22)13-23-11-8-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyNBIMQQFNWZZRFW-UHFFFAOYSA-N
XLogP1.44
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 97405256
4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid
CID 119168410
1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one
CID 95289388
(2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 95302823
(2-ethylpyrimidin-5-yl)-[3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methanone
CID 56708527
2-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 120704817
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-phenylethoxy)ethanone;hydrochloride
CID 119486723
3H-benzimidazol-5-yl-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 56780111
2-ethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
CID 72703429
(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-methyl-3-methylsulfonylphenyl)methanone
CID 56802306
1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone
CID 167822126
benzyl 3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 58417718

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-phenylethoxy)ethanone?
The IUPAC name of 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-phenylethoxy)ethanone (CID 56778787) is 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-phenylethoxy)ethanone.
What is the SMILES notation for 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-phenylethoxy)ethanone?
The canonical SMILES for 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-phenylethoxy)ethanone is CCc1nnc2n1CCN(C(=O)COCCc1ccccc1)C2.
What is the InChIKey of 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-phenylethoxy)ethanone?
The InChIKey is NBIMQQFNWZZRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-15-18-19-16-12-20(9-10-21(15)16)17(22)13-23-11-8-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3.
What are the key properties of 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-phenylethoxy)ethanone?
1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-phenylethoxy)ethanone has a molecular weight of 314.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-phenylethoxy)ethanone is sourced from PubChem (CID 56778787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).