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

C16H18N4O2 — CID 126470032

IUPAC1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-hydroxyphenyl)ethanone
SMILESO=C(Cc1cccc(O)c1)N1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C16H18N4O2/c21-13-3-1-2-11(8-13)9-15(22)19-6-7-20-14(10-19)17-18-16(20)12-4-5-12/h1-3,8,12,21H,4-7,9-10H2
InChIKeyNFTOJKGGAZEKCT-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.45
Rot. Bonds3

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

1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-hydroxyphenyl)ethanone (PubChem CID 126470032) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-hydroxyphenyl)ethanone
PubChem CID126470032
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-hydroxyphenyl)ethanone
SMILESO=C(Cc1cccc(O)c1)N1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C16H18N4O2/c21-13-3-1-2-11(8-13)9-15(22)19-6-7-20-14(10-19)17-18-16(20)12-4-5-12/h1-3,8,12,21H,4-7,9-10H2
InChIKeyNFTOJKGGAZEKCT-UHFFFAOYSA-N
XLogP1.45
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 16675009
2-(3-methoxyphenyl)-1-[3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 95834013
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80677823
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61399745
4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide
CID 61399968
2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone
CID 146087611
2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62735027
N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide
CID 77011790
2-(4-fluorophenyl)-1-[3-[(2R)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 92640636
1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 63861899
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-hydroxyphenyl)ethanone?
The IUPAC name of 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-hydroxyphenyl)ethanone (CID 126470032) is 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-hydroxyphenyl)ethanone is O=C(Cc1cccc(O)c1)N1CCn2c(nnc2C2CC2)C1.
What is the InChIKey of 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-hydroxyphenyl)ethanone?
The InChIKey is NFTOJKGGAZEKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-13-3-1-2-11(8-13)9-15(22)19-6-7-20-14(10-19)17-18-16(20)12-4-5-12/h1-3,8,12,21H,4-7,9-10H2.
What are the key properties of 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-hydroxyphenyl)ethanone?
1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-hydroxyphenyl)ethanone has a molecular weight of 298.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-hydroxyphenyl)ethanone is sourced from PubChem (CID 126470032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).