1-[4-(1-propyltriazol-4-yl)phenyl]pyrrole-2,5-dione

C15H14N4O2 — CID 122202328

IUPAC1-[4-(1-propyltriazol-4-yl)phenyl]pyrrole-2,5-dione
SMILESCCCn1cc(-c2ccc(N3C(=O)C=CC3=O)cc2)nn1
InChIInChI=1S/C15H14N4O2/c1-2-9-18-10-13(16-17-18)11-3-5-12(6-4-11)19-14(20)7-8-15(19)21/h3-8,10H,2,9H2,1H3
InChIKeyDSELATNHJQYMES-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.78
Rot. Bonds4

About 1-[4-(1-propyltriazol-4-yl)phenyl]pyrrole-2,5-dione

1-[4-(1-propyltriazol-4-yl)phenyl]pyrrole-2,5-dione (PubChem CID 122202328) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[4-(1-propyltriazol-4-yl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(1-propyltriazol-4-yl)phenyl]pyrrole-2,5-dione
PubChem CID122202328
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-[4-(1-propyltriazol-4-yl)phenyl]pyrrole-2,5-dione
SMILESCCCn1cc(-c2ccc(N3C(=O)C=CC3=O)cc2)nn1
InChIInChI=1S/C15H14N4O2/c1-2-9-18-10-13(16-17-18)11-3-5-12(6-4-11)19-14(20)7-8-15(19)21/h3-8,10H,2,9H2,1H3
InChIKeyDSELATNHJQYMES-UHFFFAOYSA-N
XLogP1.78
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.78
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-[4-(thiadiazol-4-yl)phenyl]pyrrole-2,5-dione
CID 2739294
ethane;4-(3-fluorophenyl)-1-propyltriazole
CID 155708968
4-[4-(4-propylphenyl)triazol-1-yl]butanamide
CID 137472849
1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole
CID 50852608
4-(4-butoxyphenyl)-1-ethyltriazole
CID 13399718
4-methyl-1-propyltriazole
CID 59256869
1-(2-methoxyethyl)-4-phenyltriazole
CID 50852603
1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole
CID 146397272
1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione
CID 153418521
2-[4-(4-methylphenyl)triazol-1-yl]ethane-1,1-diol
CID 134693308
3-(1-butyltriazol-4-yl)aniline
CID 123699431
5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol
CID 118336678

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-propyltriazol-4-yl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-(1-propyltriazol-4-yl)phenyl]pyrrole-2,5-dione (CID 122202328) is 1-[4-(1-propyltriazol-4-yl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(1-propyltriazol-4-yl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(1-propyltriazol-4-yl)phenyl]pyrrole-2,5-dione is CCCn1cc(-c2ccc(N3C(=O)C=CC3=O)cc2)nn1.
What is the InChIKey of 1-[4-(1-propyltriazol-4-yl)phenyl]pyrrole-2,5-dione?
The InChIKey is DSELATNHJQYMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-9-18-10-13(16-17-18)11-3-5-12(6-4-11)19-14(20)7-8-15(19)21/h3-8,10H,2,9H2,1H3.
What are the key properties of 1-[4-(1-propyltriazol-4-yl)phenyl]pyrrole-2,5-dione?
1-[4-(1-propyltriazol-4-yl)phenyl]pyrrole-2,5-dione has a molecular weight of 282.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-propyltriazol-4-yl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 122202328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).