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

C8H8N4O2 — CID 60976708

IUPAC1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione
SMILESCn1cnnc1CN1C(=O)C=CC1=O
InChIInChI=1S/C8H8N4O2/c1-11-5-9-10-6(11)4-12-7(13)2-3-8(12)14/h2-3,5H,4H2,1H3
InChIKeyOQBXZBUUJPXSJX-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.76
Rot. Bonds2

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

1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione (PubChem CID 60976708) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione
PubChem CID60976708
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione
SMILESCn1cnnc1CN1C(=O)C=CC1=O
InChIInChI=1S/C8H8N4O2/c1-11-5-9-10-6(11)4-12-7(13)2-3-8(12)14/h2-3,5H,4H2,1H3
InChIKeyOQBXZBUUJPXSJX-UHFFFAOYSA-N
XLogP-0.76
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione (CID 60976708) is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione is Cn1cnnc1CN1C(=O)C=CC1=O.
What is the InChIKey of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione?
The InChIKey is OQBXZBUUJPXSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-11-5-9-10-6(11)4-12-7(13)2-3-8(12)14/h2-3,5H,4H2,1H3.
What are the key properties of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione?
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione has a molecular weight of 192.18 g/mol, XLogP of -0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 60976708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).