7-ethyl-3-[2-(2-hydroxyphenyl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C15H18N4O2 — CID 138378075

IUPAC7-ethyl-3-[2-(2-hydroxyphenyl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCN1CCn2c(CCc3ccccc3O)nnc2C1=O
InChIInChI=1S/C15H18N4O2/c1-2-18-9-10-19-13(16-17-14(19)15(18)21)8-7-11-5-3-4-6-12(11)20/h3-6,20H,2,7-10H2,1H3
InChIKeyGNXWIMFUMCQPLA-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.24
Rot. Bonds4

About 7-ethyl-3-[2-(2-hydroxyphenyl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one

7-ethyl-3-[2-(2-hydroxyphenyl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 138378075) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 7-ethyl-3-[2-(2-hydroxyphenyl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-ethyl-3-[2-(2-hydroxyphenyl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID138378075
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name7-ethyl-3-[2-(2-hydroxyphenyl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCN1CCn2c(CCc3ccccc3O)nnc2C1=O
InChIInChI=1S/C15H18N4O2/c1-2-18-9-10-19-13(16-17-14(19)15(18)21)8-7-11-5-3-4-6-12(11)20/h3-6,20H,2,7-10H2,1H3
InChIKeyGNXWIMFUMCQPLA-UHFFFAOYSA-N
XLogP1.24
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 157019961
7-ethyl-3-(1-ethylpyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 138384192
7-ethyl-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 157017965
7-ethyl-3-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 157012270
7-ethyl-3-(5-methyl-1,3-oxazol-4-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 157017387
CID 175749710
CID 175749710
N-[(2-chlorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190221
1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione
CID 62016943
2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(2-methylphenyl)acetamide
CID 122172291
2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one
CID 71778155
N-[(2-chlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 60546030
3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62588066

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-[2-(2-hydroxyphenyl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-ethyl-3-[2-(2-hydroxyphenyl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 138378075) is 7-ethyl-3-[2-(2-hydroxyphenyl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-ethyl-3-[2-(2-hydroxyphenyl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-ethyl-3-[2-(2-hydroxyphenyl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CCN1CCn2c(CCc3ccccc3O)nnc2C1=O.
What is the InChIKey of 7-ethyl-3-[2-(2-hydroxyphenyl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is GNXWIMFUMCQPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-18-9-10-19-13(16-17-14(19)15(18)21)8-7-11-5-3-4-6-12(11)20/h3-6,20H,2,7-10H2,1H3.
What are the key properties of 7-ethyl-3-[2-(2-hydroxyphenyl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-ethyl-3-[2-(2-hydroxyphenyl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 286.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-[2-(2-hydroxyphenyl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 138378075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).