1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione

C16H26N6O3 — CID 91766554

IUPAC1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione
SMILESCOCCn1c(CN2C(=O)N(C)C(=O)C2(C)C)nnc1C1CC(N)C1
InChIInChI=1S/C16H26N6O3/c1-16(2)14(23)20(3)15(24)22(16)9-12-18-19-13(10-7-11(17)8-10)21(12)5-6-25-4/h10-11H,5-9,17H2,1-4H3
InChIKeyVAQPNJDETNMNNF-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.30
Rot. Bonds6

About 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione

1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione (PubChem CID 91766554) has the molecular formula C16H26N6O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione
PubChem CID91766554
Molecular FormulaC16H26N6O3
Molecular Weight350.42 g/mol
Exact Mass350.21
IUPAC Name1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione
SMILESCOCCn1c(CN2C(=O)N(C)C(=O)C2(C)C)nnc1C1CC(N)C1
InChIInChI=1S/C16H26N6O3/c1-16(2)14(23)20(3)15(24)22(16)9-12-18-19-13(10-7-11(17)8-10)21(12)5-6-25-4/h10-11H,5-9,17H2,1-4H3
InChIKeyVAQPNJDETNMNNF-UHFFFAOYSA-N
XLogP0.30
TPSA106.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[trans-3-(4-ethyl-5-{[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutyl]amine
CID 91759670
2-{[5-(trans-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 91794321
4-{[5-(trans-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-1-cyclopentylpiperazin-2-one
CID 91784199
cis-3-[4-(2-methoxyethyl)-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91762154
2-(2,5-dioxoimidazolidin-1-yl)-N-{cis-3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}acetamide
CID 91763070
N-{cis-3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-1-methyl-D-prolinamide
CID 91763732
4-{[5-(trans-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N,N-dimethylpiperazine-1-carboxamide
CID 91764403
1-{[5-(cis-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-1,4-diazepan-5-one
CID 91765527
N-{trans-3-[4-ethyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-(2-oxopyrrolidin-1-yl)acetamide
CID 91765641
N-[(1-{[5-(cis-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-yl)methyl]acetamide
CID 91766906
N-[trans-3-(5-{[4-(2-ethoxyethyl)piperazin-1-yl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]acetamide
CID 91770504
N~2~-cyclopentyl-N~1~-{trans-3-[4-ethyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-N~2~-methylglycinamide
CID 91770682

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione (CID 91766554) is 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione is COCCn1c(CN2C(=O)N(C)C(=O)C2(C)C)nnc1C1CC(N)C1.
What is the InChIKey of 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione?
The InChIKey is VAQPNJDETNMNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O3/c1-16(2)14(23)20(3)15(24)22(16)9-12-18-19-13(10-7-11(17)8-10)21(12)5-6-25-4/h10-11H,5-9,17H2,1-4H3.
What are the key properties of 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione?
1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione has a molecular weight of 350.42 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione is sourced from PubChem (CID 91766554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).