1-(4-amino-6-chloro-1,3,5-triazin-2-yl)pyrrole-2,5-dione

C7H4ClN5O2 — CID 134294572

IUPAC1-(4-amino-6-chloro-1,3,5-triazin-2-yl)pyrrole-2,5-dione
SMILESNc1nc(Cl)nc(N2C(=O)C=CC2=O)n1
InChIInChI=1S/C7H4ClN5O2/c8-5-10-6(9)12-7(11-5)13-3(14)1-2-4(13)15/h1-2H,(H2,9,10,11,12)
InChIKeyHTDANAHFJWRNTM-UHFFFAOYSA-N
MW225.59 g/mol
LogP-0.46
Rot. Bonds1

About 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)pyrrole-2,5-dione

1-(4-amino-6-chloro-1,3,5-triazin-2-yl)pyrrole-2,5-dione (PubChem CID 134294572) has the molecular formula C7H4ClN5O2 and a molecular weight of 225.59 g/mol. Its IUPAC name is 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-amino-6-chloro-1,3,5-triazin-2-yl)pyrrole-2,5-dione
PubChem CID134294572
Molecular FormulaC7H4ClN5O2
Molecular Weight225.59 g/mol
Exact Mass225.01
IUPAC Name1-(4-amino-6-chloro-1,3,5-triazin-2-yl)pyrrole-2,5-dione
SMILESNc1nc(Cl)nc(N2C(=O)C=CC2=O)n1
InChIInChI=1S/C7H4ClN5O2/c8-5-10-6(9)12-7(11-5)13-3(14)1-2-4(13)15/h1-2H,(H2,9,10,11,12)
InChIKeyHTDANAHFJWRNTM-UHFFFAOYSA-N
XLogP-0.46
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.59
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)pyrrole-2,5-dione (CID 134294572) is 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)pyrrole-2,5-dione is Nc1nc(Cl)nc(N2C(=O)C=CC2=O)n1.
What is the InChIKey of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)pyrrole-2,5-dione?
The InChIKey is HTDANAHFJWRNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN5O2/c8-5-10-6(9)12-7(11-5)13-3(14)1-2-4(13)15/h1-2H,(H2,9,10,11,12).
What are the key properties of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)pyrrole-2,5-dione?
1-(4-amino-6-chloro-1,3,5-triazin-2-yl)pyrrole-2,5-dione has a molecular weight of 225.59 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 134294572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).