N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C15H22N6O3 — CID 118792085

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)NCc2nncn2C2CCCCC2)C1=O
InChIInChI=1S/C15H22N6O3/c1-19-9-14(23)20(15(19)24)8-13(22)16-7-12-18-17-10-21(12)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,16,22)
InChIKeyGSHIITYUGHVUIN-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.29
Rot. Bonds5

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 118792085) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID118792085
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)NCc2nncn2C2CCCCC2)C1=O
InChIInChI=1S/C15H22N6O3/c1-19-9-14(23)20(15(19)24)8-13(22)16-7-12-18-17-10-21(12)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,16,22)
InChIKeyGSHIITYUGHVUIN-UHFFFAOYSA-N
XLogP0.29
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.29
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 N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 118792085) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CN1CC(=O)N(CC(=O)NCc2nncn2C2CCCCC2)C1=O.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is GSHIITYUGHVUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3/c1-19-9-14(23)20(15(19)24)8-13(22)16-7-12-18-17-10-21(12)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,16,22).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 334.38 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 118792085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).