3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione

C17H19N5O2 — CID 154780871

IUPAC3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione
SMILESCC1C(=O)N(c2ncn(Cc3ccccc3)n2)C(=O)N1C1CCC1
InChIInChI=1S/C17H19N5O2/c1-12-15(23)22(17(24)21(12)14-8-5-9-14)16-18-11-20(19-16)10-13-6-3-2-4-7-13/h2-4,6-7,11-12,14H,5,8-10H2,1H3
InChIKeyURIAMKLOBSSSTB-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.04
Rot. Bonds4

About 3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione

3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione (PubChem CID 154780871) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione
PubChem CID154780871
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione
SMILESCC1C(=O)N(c2ncn(Cc3ccccc3)n2)C(=O)N1C1CCC1
InChIInChI=1S/C17H19N5O2/c1-12-15(23)22(17(24)21(12)14-8-5-9-14)16-18-11-20(19-16)10-13-6-3-2-4-7-13/h2-4,6-7,11-12,14H,5,8-10H2,1H3
InChIKeyURIAMKLOBSSSTB-UHFFFAOYSA-N
XLogP2.04
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione
CID 99779502
1-cyclobutyl-5-methyl-3-pyridin-4-ylimidazolidine-2,4-dione
CID 86820034
(3aS,7aR)-2-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 17023712
(3aS,4R,7S,7aR)-2-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 51428257
1-benzyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784492
8-(5-benzylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octane
CID 159671236
3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione
CID 64958470
(3aS,4R,7R,7aS)-2-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 124713668
(3aS,4R,7R,7aS)-2-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 124837376
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
(4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione
CID 10853143
(5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione
CID 156703188

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione (CID 154780871) is 3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione is CC1C(=O)N(c2ncn(Cc3ccccc3)n2)C(=O)N1C1CCC1.
What is the InChIKey of 3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione?
The InChIKey is URIAMKLOBSSSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-15(23)22(17(24)21(12)14-8-5-9-14)16-18-11-20(19-16)10-13-6-3-2-4-7-13/h2-4,6-7,11-12,14H,5,8-10H2,1H3.
What are the key properties of 3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione?
3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione has a molecular weight of 325.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-1,2,4-triazol-3-yl)-1-cyclobutyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 154780871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).