3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione

C15H16N4O2 — CID 75376279

IUPAC3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2cnn(-c3ccccc3)n2)C(=O)C1C
InChIInChI=1S/C15H16N4O2/c1-10-11(2)15(21)18(14(10)20)9-12-8-16-19(17-12)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3
InChIKeyPRNAGPOPIUWEBQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.41
Rot. Bonds3

About 3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione

3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 75376279) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione
PubChem CID75376279
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2cnn(-c3ccccc3)n2)C(=O)C1C
InChIInChI=1S/C15H16N4O2/c1-10-11(2)15(21)18(14(10)20)9-12-8-16-19(17-12)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3
InChIKeyPRNAGPOPIUWEBQ-UHFFFAOYSA-N
XLogP1.41
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[p-(5-methyl-1H-1,2,3-triazol-1-yl)phenyl]-(S)-5-oxo-1-phenyl-3-pyrrolidinecarboxamide
CID 42107632
2-(1-(2-phenyl-2H-1,2,3-triazole-4-carbonyl)azetidin-3-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 86265384
3,3-Dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 72022777
7,7-Dimethyl-1-[(2-phenyltriazol-4-yl)methyl]-1,4-diazepan-5-one
CID 126840873
4-(fluoromethyl)-1-[1-(2-phenyl-2H-1,2,3-triazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126899677
(3S,4S)-1-[2-(4-fluorophenyl)triazole-4-carbonyl]-4-methylpyrrolidine-3-carboxamide
CID 128988772
3-[(2-Ethyltriazol-4-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 137996229
2-(2-Phenyltriazol-4-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 138024982
1-[1-(Difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-(2-phenyltriazol-4-yl)ethanone
CID 139021966
N-[4-(5-methyl-1H-1,2,3-triazol-1-yl)phenyl]-5-oxo-1-phenyl-3-pyrrolidinecarboxamide
CID 17015586
1-(Azocan-1-yl)-2-(2-phenyltriazol-4-yl)ethanone
CID 71895044
2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide
CID 75461531

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione (CID 75376279) is 3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione is CC1C(=O)N(Cc2cnn(-c3ccccc3)n2)C(=O)C1C.
What is the InChIKey of 3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is PRNAGPOPIUWEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-11(2)15(21)18(14(10)20)9-12-8-16-19(17-12)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione?
3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 284.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 75376279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).