1-(2-methylpropyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazolidine-2,4-dione

C12H19N5O2 — CID 139019770

IUPAC1-(2-methylpropyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazolidine-2,4-dione
SMILESCC(C)CN1CC(=O)N(c2ncnn2C(C)C)C1=O
InChIInChI=1S/C12H19N5O2/c1-8(2)5-15-6-10(18)16(12(15)19)11-13-7-14-17(11)9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyLAGFNSLNXJUGKN-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.28
Rot. Bonds4

About 1-(2-methylpropyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazolidine-2,4-dione

1-(2-methylpropyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazolidine-2,4-dione (PubChem CID 139019770) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazolidine-2,4-dione
PubChem CID139019770
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-(2-methylpropyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazolidine-2,4-dione
SMILESCC(C)CN1CC(=O)N(c2ncnn2C(C)C)C1=O
InChIInChI=1S/C12H19N5O2/c1-8(2)5-15-6-10(18)16(12(15)19)11-13-7-14-17(11)9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyLAGFNSLNXJUGKN-UHFFFAOYSA-N
XLogP1.28
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-methylpropyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazolidine-2,4-dione?
The IUPAC name of 1-(2-methylpropyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazolidine-2,4-dione (CID 139019770) is 1-(2-methylpropyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(2-methylpropyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(2-methylpropyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazolidine-2,4-dione is CC(C)CN1CC(=O)N(c2ncnn2C(C)C)C1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazolidine-2,4-dione?
The InChIKey is LAGFNSLNXJUGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8(2)5-15-6-10(18)16(12(15)19)11-13-7-14-17(11)9(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazolidine-2,4-dione?
1-(2-methylpropyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazolidine-2,4-dione has a molecular weight of 265.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 139019770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).