2-[5-(1-bromoethyl)triazol-1-yl]-N-carbamoylacetamide

C7H10BrN5O2 — CID 130567295

IUPAC2-[5-(1-bromoethyl)triazol-1-yl]-N-carbamoylacetamide
SMILESCC(Br)c1cnnn1CC(=O)NC(N)=O
InChIInChI=1S/C7H10BrN5O2/c1-4(8)5-2-10-12-13(5)3-6(14)11-7(9)15/h2,4H,3H2,1H3,(H3,9,11,14,15)
InChIKeyWQBYNTFJEOCWEU-UHFFFAOYSA-N
MW276.09 g/mol
LogP-0.07
Rot. Bonds3

About 2-[5-(1-bromoethyl)triazol-1-yl]-N-carbamoylacetamide

2-[5-(1-bromoethyl)triazol-1-yl]-N-carbamoylacetamide (PubChem CID 130567295) has the molecular formula C7H10BrN5O2 and a molecular weight of 276.09 g/mol. Its IUPAC name is 2-[5-(1-bromoethyl)triazol-1-yl]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[5-(1-bromoethyl)triazol-1-yl]-N-carbamoylacetamide
PubChem CID130567295
Molecular FormulaC7H10BrN5O2
Molecular Weight276.09 g/mol
Exact Mass275.00
IUPAC Name2-[5-(1-bromoethyl)triazol-1-yl]-N-carbamoylacetamide
SMILESCC(Br)c1cnnn1CC(=O)NC(N)=O
InChIInChI=1S/C7H10BrN5O2/c1-4(8)5-2-10-12-13(5)3-6(14)11-7(9)15/h2,4H,3H2,1H3,(H3,9,11,14,15)
InChIKeyWQBYNTFJEOCWEU-UHFFFAOYSA-N
XLogP-0.07
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-(1-bromoethyl)triazol-1-yl]methyl]-1-methyltriazole
CID 130567324
2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide
CID 165459946
1-[2-(carbamoylamino)-2-oxoethyl]-5-(3-methylimidazol-4-yl)triazole-4-carboxylic acid
CID 103115502
5-(1-bromoethyl)-1-butan-2-yltriazole
CID 130567264
2-[3-(2-fluoro-2-methylpropyl)triazol-4-yl]propanoic acid
CID 84680927
N-carbamoyl-2-(4-chloropyrazol-1-yl)acetamide
CID 130693998
3-(2-amino-2-oxoethyl)triazole-4-carboxylic acid
CID 82194780
3-[2-(carbamoylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2629330
3-[2-(4-tert-butylanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82194777
diethyl 2-(3-propyltriazol-4-yl)propanedioate
CID 114690044
N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide
CID 66214589
2-[3-(carbamoylamino)-3-oxopropyl]sulfanyl-3-methylbutanoic acid
CID 105354164

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-bromoethyl)triazol-1-yl]-N-carbamoylacetamide?
The IUPAC name of 2-[5-(1-bromoethyl)triazol-1-yl]-N-carbamoylacetamide (CID 130567295) is 2-[5-(1-bromoethyl)triazol-1-yl]-N-carbamoylacetamide.
What is the SMILES notation for 2-[5-(1-bromoethyl)triazol-1-yl]-N-carbamoylacetamide?
The canonical SMILES for 2-[5-(1-bromoethyl)triazol-1-yl]-N-carbamoylacetamide is CC(Br)c1cnnn1CC(=O)NC(N)=O.
What is the InChIKey of 2-[5-(1-bromoethyl)triazol-1-yl]-N-carbamoylacetamide?
The InChIKey is WQBYNTFJEOCWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN5O2/c1-4(8)5-2-10-12-13(5)3-6(14)11-7(9)15/h2,4H,3H2,1H3,(H3,9,11,14,15).
What are the key properties of 2-[5-(1-bromoethyl)triazol-1-yl]-N-carbamoylacetamide?
2-[5-(1-bromoethyl)triazol-1-yl]-N-carbamoylacetamide has a molecular weight of 276.09 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-bromoethyl)triazol-1-yl]-N-carbamoylacetamide is sourced from PubChem (CID 130567295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).