7-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C17H22N4O2 — CID 134795240

IUPAC7-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1ccc(-n2nc3n(c2=O)CCN(C(=O)C(C)(C)C)C3)cc1
InChIInChI=1S/C17H22N4O2/c1-12-5-7-13(8-6-12)21-16(23)20-10-9-19(11-14(20)18-21)15(22)17(2,3)4/h5-8H,9-11H2,1-4H3
InChIKeySUDGNJIZAMEBQC-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.73
Rot. Bonds1

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

7-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134795240) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 7-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134795240
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name7-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1ccc(-n2nc3n(c2=O)CCN(C(=O)C(C)(C)C)C3)cc1
InChIInChI=1S/C17H22N4O2/c1-12-5-7-13(8-6-12)21-16(23)20-10-9-19(11-14(20)18-21)15(22)17(2,3)4/h5-8H,9-11H2,1-4H3
InChIKeySUDGNJIZAMEBQC-UHFFFAOYSA-N
XLogP1.73
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
CID 115058295
2,2-dimethyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 59440887
7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134792593
7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134790600
7-(2,2-dimethylpropanoyl)-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 124801395
2,2-dimethyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 155875986
2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 58179418
1-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 111476546
1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
CID 28603373
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 115058283
2,2-dimethyl-1-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 176621439

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134795240) is 7-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is Cc1ccc(-n2nc3n(c2=O)CCN(C(=O)C(C)(C)C)C3)cc1.
What is the InChIKey of 7-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is SUDGNJIZAMEBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-5-7-13(8-6-12)21-16(23)20-10-9-19(11-14(20)18-21)15(22)17(2,3)4/h5-8H,9-11H2,1-4H3.
What are the key properties of 7-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 314.39 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134795240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).