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

C9H10N4O2 — CID 60976709

IUPAC3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(Cc2nncn2C)C1=O
InChIInChI=1S/C9H10N4O2/c1-6-3-8(14)13(9(6)15)4-7-11-10-5-12(7)2/h3,5H,4H2,1-2H3
InChIKeyFZBHVXFDUVWPOE-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.37
Rot. Bonds2

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

3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione (PubChem CID 60976709) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione
PubChem CID60976709
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(Cc2nncn2C)C1=O
InChIInChI=1S/C9H10N4O2/c1-6-3-8(14)13(9(6)15)4-7-11-10-5-12(7)2/h3,5H,4H2,1-2H3
InChIKeyFZBHVXFDUVWPOE-UHFFFAOYSA-N
XLogP-0.37
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione (CID 60976709) is 3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione is CC1=CC(=O)N(Cc2nncn2C)C1=O.
What is the InChIKey of 3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione?
The InChIKey is FZBHVXFDUVWPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-6-3-8(14)13(9(6)15)4-7-11-10-5-12(7)2/h3,5H,4H2,1-2H3.
What are the key properties of 3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione?
3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione has a molecular weight of 206.21 g/mol, XLogP of -0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 60976709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).