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

C13H15N5O3 — CID 72850756

IUPAC3-[[2-ethyl-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
SMILESCCn1nc(-c2ccc(C)o2)nc1CN1C(=O)CNC1=O
InChIInChI=1S/C13H15N5O3/c1-3-18-10(7-17-11(19)6-14-13(17)20)15-12(16-18)9-5-4-8(2)21-9/h4-5H,3,6-7H2,1-2H3,(H,14,20)
InChIKeyFEMRSZJOSUYNET-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.92
Rot. Bonds4

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

3-[[2-ethyl-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione (PubChem CID 72850756) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-[[2-ethyl-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-ethyl-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
PubChem CID72850756
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name3-[[2-ethyl-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
SMILESCCn1nc(-c2ccc(C)o2)nc1CN1C(=O)CNC1=O
InChIInChI=1S/C13H15N5O3/c1-3-18-10(7-17-11(19)6-14-13(17)20)15-12(16-18)9-5-4-8(2)21-9/h4-5H,3,6-7H2,1-2H3,(H,14,20)
InChIKeyFEMRSZJOSUYNET-UHFFFAOYSA-N
XLogP0.92
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[2-ethyl-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione (CID 72850756) is 3-[[2-ethyl-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-ethyl-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-ethyl-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione is CCn1nc(-c2ccc(C)o2)nc1CN1C(=O)CNC1=O.
What is the InChIKey of 3-[[2-ethyl-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is FEMRSZJOSUYNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-3-18-10(7-17-11(19)6-14-13(17)20)15-12(16-18)9-5-4-8(2)21-9/h4-5H,3,6-7H2,1-2H3,(H,14,20).
What are the key properties of 3-[[2-ethyl-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
3-[[2-ethyl-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 289.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 72850756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).