2-bromo-N-(1,2,4-triazol-4-yl)acetamide

C4H5BrN4O — CID 3416412

IUPAC2-bromo-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(CBr)Nn1cnnc1
InChIInChI=1S/C4H5BrN4O/c5-1-4(10)8-9-2-6-7-3-9/h2-3H,1H2,(H,8,10)
InChIKeyFOZCSUMVTPNCPG-UHFFFAOYSA-N
MW205.01 g/mol
LogP-0.26
Rot. Bonds2

About 2-bromo-N-(1,2,4-triazol-4-yl)acetamide

2-bromo-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 3416412) has the molecular formula C4H5BrN4O and a molecular weight of 205.01 g/mol. Its IUPAC name is 2-bromo-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID3416412
Molecular FormulaC4H5BrN4O
Molecular Weight205.01 g/mol
Exact Mass203.96
IUPAC Name2-bromo-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(CBr)Nn1cnnc1
InChIInChI=1S/C4H5BrN4O/c5-1-4(10)8-9-2-6-7-3-9/h2-3H,1H2,(H,8,10)
InChIKeyFOZCSUMVTPNCPG-UHFFFAOYSA-N
XLogP-0.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.01
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(1,2,4-triazol-4-yl)butanamide
CID 4601407
N,N'-bis(1,2,4-triazol-4-yl)oxamide
CID 2718211
3-hydroxy-3-methyl-N-(1,2,4-triazol-4-yl)butanamide
CID 130668781
N-(1,2,4-triazol-4-yl)nonanamide
CID 5150986
2-methyl-N-(1,2,4-triazol-4-yl)propanamide
CID 3617989
1-(1,2,4-triazol-4-yl)-3-[8-(1,2,4-triazol-4-ylcarbamoylamino)octyl]urea
CID 102476065
2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide
CID 4008461
4-oxo-4-(1,2,4-triazol-4-ylamino)but-2-enoic acid
CID 4299909
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide
CID 135760631
N-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide
CID 23991813
2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide
CID 21369565
2,3-dibromo-3-phenyl-N-(1,2,4-triazol-4-yl)propanamide
CID 4528747

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-bromo-N-(1,2,4-triazol-4-yl)acetamide (CID 3416412) is 2-bromo-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-bromo-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-bromo-N-(1,2,4-triazol-4-yl)acetamide is O=C(CBr)Nn1cnnc1.
What is the InChIKey of 2-bromo-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is FOZCSUMVTPNCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN4O/c5-1-4(10)8-9-2-6-7-3-9/h2-3H,1H2,(H,8,10).
What are the key properties of 2-bromo-N-(1,2,4-triazol-4-yl)acetamide?
2-bromo-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 205.01 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 3416412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).