N-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]acetamide

C7H10Br2N4O — CID 71979617

IUPACN-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]acetamide
SMILESCC(=O)NCCCn1nc(Br)nc1Br
InChIInChI=1S/C7H10Br2N4O/c1-5(14)10-3-2-4-13-7(9)11-6(8)12-13/h2-4H2,1H3,(H,10,14)
InChIKeyFTCNASLUMJPAIJ-UHFFFAOYSA-N
MW325.99 g/mol
LogP1.33
Rot. Bonds4

About N-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]acetamide

N-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]acetamide (PubChem CID 71979617) has the molecular formula C7H10Br2N4O and a molecular weight of 325.99 g/mol. Its IUPAC name is N-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]acetamide
PubChem CID71979617
Molecular FormulaC7H10Br2N4O
Molecular Weight325.99 g/mol
Exact Mass323.92
IUPAC NameN-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]acetamide
SMILESCC(=O)NCCCn1nc(Br)nc1Br
InChIInChI=1S/C7H10Br2N4O/c1-5(14)10-3-2-4-13-7(9)11-6(8)12-13/h2-4H2,1H3,(H,10,14)
InChIKeyFTCNASLUMJPAIJ-UHFFFAOYSA-N
XLogP1.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.99
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]acetamide?
The IUPAC name of N-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]acetamide (CID 71979617) is N-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]acetamide?
The canonical SMILES for N-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]acetamide is CC(=O)NCCCn1nc(Br)nc1Br.
What is the InChIKey of N-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]acetamide?
The InChIKey is FTCNASLUMJPAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Br2N4O/c1-5(14)10-3-2-4-13-7(9)11-6(8)12-13/h2-4H2,1H3,(H,10,14).
What are the key properties of N-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]acetamide?
N-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]acetamide has a molecular weight of 325.99 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]acetamide is sourced from PubChem (CID 71979617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).