1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione

C14H15N5O2 — CID 50948711

IUPAC1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCN1C(=O)C(Cc2nc(-c3ccccc3)n[nH]2)N(C)C1=O
InChIInChI=1S/C14H15N5O2/c1-18-10(13(20)19(2)14(18)21)8-11-15-12(17-16-11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,15,16,17)
InChIKeyYLQPWKLYGMUYLD-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.91
Rot. Bonds3

About 1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione

1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 50948711) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione
PubChem CID50948711
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCN1C(=O)C(Cc2nc(-c3ccccc3)n[nH]2)N(C)C1=O
InChIInChI=1S/C14H15N5O2/c1-18-10(13(20)19(2)14(18)21)8-11-15-12(17-16-11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,15,16,17)
InChIKeyYLQPWKLYGMUYLD-UHFFFAOYSA-N
XLogP0.91
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione (CID 50948711) is 1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione is CN1C(=O)C(Cc2nc(-c3ccccc3)n[nH]2)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is YLQPWKLYGMUYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-18-10(13(20)19(2)14(18)21)8-11-15-12(17-16-11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione?
1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 285.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 50948711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).