1-[3-[4-(2,2-dimethylpropyl)triazol-1-yl]propyl]pyrrole-2,5-dione

C14H20N4O2 — CID 165156883

IUPAC1-[3-[4-(2,2-dimethylpropyl)triazol-1-yl]propyl]pyrrole-2,5-dione
SMILESCC(C)(C)Cc1cn(CCCN2C(=O)C=CC2=O)nn1
InChIInChI=1S/C14H20N4O2/c1-14(2,3)9-11-10-17(16-15-11)7-4-8-18-12(19)5-6-13(18)20/h5-6,10H,4,7-9H2,1-3H3
InChIKeyINBATTNDLAQJPA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.18
Rot. Bonds5

About 1-[3-[4-(2,2-dimethylpropyl)triazol-1-yl]propyl]pyrrole-2,5-dione

1-[3-[4-(2,2-dimethylpropyl)triazol-1-yl]propyl]pyrrole-2,5-dione (PubChem CID 165156883) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[3-[4-(2,2-dimethylpropyl)triazol-1-yl]propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-[4-(2,2-dimethylpropyl)triazol-1-yl]propyl]pyrrole-2,5-dione
PubChem CID165156883
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[3-[4-(2,2-dimethylpropyl)triazol-1-yl]propyl]pyrrole-2,5-dione
SMILESCC(C)(C)Cc1cn(CCCN2C(=O)C=CC2=O)nn1
InChIInChI=1S/C14H20N4O2/c1-14(2,3)9-11-10-17(16-15-11)7-4-8-18-12(19)5-6-13(18)20/h5-6,10H,4,7-9H2,1-3H3
InChIKeyINBATTNDLAQJPA-UHFFFAOYSA-N
XLogP1.18
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.18
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

1-(7,7-dimethyloctyl)-4-(2,2-dimethylpropyl)triazole
CID 138467323
3-[4-(2,2-dimethylpropyl)triazol-1-yl]-N-propan-2-ylpropan-1-amine
CID 166933487
1-(11,11-dimethyldodec-9-ynyl)-4-(2,2-dimethylpropyl)triazole;4-(2,2-dimethylpropyl)-1-(13,13-dimethyltetradec-11-ynyl)triazole;4-(2,2-dimethylpropyl)-1-(12,12-dimethyltridec-10-ynyl)triazole
CID 158618155
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole
CID 164700684
4-(2,2-dimethylpropyl)-1-[2-(2-propoxyethoxy)ethyl]triazole
CID 158140724
1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one
CID 160805563
1-(9,9-dimethyldecyl)-4-(6,6-dimethylheptyl)triazole
CID 155620964
1-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethoxy]-4-methylpentan-3-one
CID 171574479
1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole
CID 122660041
1-(3,3-dimethylbutoxymethyl)-4-(2,2-dimethylpropyl)triazole
CID 171587035
1-(6,6-dimethylheptyl)-4-propyltriazole
CID 157335389

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2,2-dimethylpropyl)triazol-1-yl]propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-[4-(2,2-dimethylpropyl)triazol-1-yl]propyl]pyrrole-2,5-dione (CID 165156883) is 1-[3-[4-(2,2-dimethylpropyl)triazol-1-yl]propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-[4-(2,2-dimethylpropyl)triazol-1-yl]propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-[4-(2,2-dimethylpropyl)triazol-1-yl]propyl]pyrrole-2,5-dione is CC(C)(C)Cc1cn(CCCN2C(=O)C=CC2=O)nn1.
What is the InChIKey of 1-[3-[4-(2,2-dimethylpropyl)triazol-1-yl]propyl]pyrrole-2,5-dione?
The InChIKey is INBATTNDLAQJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2,3)9-11-10-17(16-15-11)7-4-8-18-12(19)5-6-13(18)20/h5-6,10H,4,7-9H2,1-3H3.
What are the key properties of 1-[3-[4-(2,2-dimethylpropyl)triazol-1-yl]propyl]pyrrole-2,5-dione?
1-[3-[4-(2,2-dimethylpropyl)triazol-1-yl]propyl]pyrrole-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2,2-dimethylpropyl)triazol-1-yl]propyl]pyrrole-2,5-dione is sourced from PubChem (CID 165156883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).