2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione

C8H10N6O2 — CID 136730496

IUPAC2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione
SMILESCCn1cnnc1CN=C1NC(=O)C(=O)N1
InChIInChI=1S/C8H10N6O2/c1-2-14-4-10-13-5(14)3-9-8-11-6(15)7(16)12-8/h4H,2-3H2,1H3,(H2,9,11,12,15,16)
InChIKeyOAFQYHVRZYJZDO-UHFFFAOYSA-N
MW222.21 g/mol
LogP-1.60
Rot. Bonds3

About 2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione

2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione (PubChem CID 136730496) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione.

Molecular Properties

Compound Name2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione
PubChem CID136730496
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione
SMILESCCn1cnnc1CN=C1NC(=O)C(=O)N1
InChIInChI=1S/C8H10N6O2/c1-2-14-4-10-13-5(14)3-9-8-11-6(15)7(16)12-8/h4H,2-3H2,1H3,(H2,9,11,12,15,16)
InChIKeyOAFQYHVRZYJZDO-UHFFFAOYSA-N
XLogP-1.60
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione?
The IUPAC name of 2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione (CID 136730496) is 2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione.
What is the SMILES notation for 2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione?
The canonical SMILES for 2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione is CCn1cnnc1CN=C1NC(=O)C(=O)N1.
What is the InChIKey of 2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione?
The InChIKey is OAFQYHVRZYJZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c1-2-14-4-10-13-5(14)3-9-8-11-6(15)7(16)12-8/h4H,2-3H2,1H3,(H2,9,11,12,15,16).
What are the key properties of 2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione?
2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione has a molecular weight of 222.21 g/mol, XLogP of -1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione is sourced from PubChem (CID 136730496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).