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

C19H25N5O — CID 56780147

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESCC(C)c1nnc2n1CCN(CC(=O)N1CCc3ccccc3C1)C2
InChIInChI=1S/C19H25N5O/c1-14(2)19-21-20-17-12-22(9-10-24(17)19)13-18(25)23-8-7-15-5-3-4-6-16(15)11-23/h3-6,14H,7-13H2,1-2H3
InChIKeyJHXLXFWAJXQIAL-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.80
Rot. Bonds3

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

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (PubChem CID 56780147) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
PubChem CID56780147
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESCC(C)c1nnc2n1CCN(CC(=O)N1CCc3ccccc3C1)C2
InChIInChI=1S/C19H25N5O/c1-14(2)19-21-20-17-12-22(9-10-24(17)19)13-18(25)23-8-7-15-5-3-4-6-16(15)11-23/h3-6,14H,7-13H2,1-2H3
InChIKeyJHXLXFWAJXQIAL-UHFFFAOYSA-N
XLogP1.80
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (CID 56780147) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is CC(C)c1nnc2n1CCN(CC(=O)N1CCc3ccccc3C1)C2.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The InChIKey is JHXLXFWAJXQIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14(2)19-21-20-17-12-22(9-10-24(17)19)13-18(25)23-8-7-15-5-3-4-6-16(15)11-23/h3-6,14H,7-13H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone has a molecular weight of 339.44 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 56780147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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