5-bromo-N-(1,2,4-triazin-3-yl)pentanamide

C8H11BrN4O — CID 107910683

IUPAC5-bromo-N-(1,2,4-triazin-3-yl)pentanamide
SMILESO=C(CCCCBr)Nc1nccnn1
InChIInChI=1S/C8H11BrN4O/c9-4-2-1-3-7(14)12-8-10-5-6-11-13-8/h5-6H,1-4H2,(H,10,12,13,14)
InChIKeyRPRWNRZQLHTREV-UHFFFAOYSA-N
MW259.11 g/mol
LogP1.38
Rot. Bonds5

About 5-bromo-N-(1,2,4-triazin-3-yl)pentanamide

5-bromo-N-(1,2,4-triazin-3-yl)pentanamide (PubChem CID 107910683) has the molecular formula C8H11BrN4O and a molecular weight of 259.11 g/mol. Its IUPAC name is 5-bromo-N-(1,2,4-triazin-3-yl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(1,2,4-triazin-3-yl)pentanamide
PubChem CID107910683
Molecular FormulaC8H11BrN4O
Molecular Weight259.11 g/mol
Exact Mass258.01
IUPAC Name5-bromo-N-(1,2,4-triazin-3-yl)pentanamide
SMILESO=C(CCCCBr)Nc1nccnn1
InChIInChI=1S/C8H11BrN4O/c9-4-2-1-3-7(14)12-8-10-5-6-11-13-8/h5-6H,1-4H2,(H,10,12,13,14)
InChIKeyRPRWNRZQLHTREV-UHFFFAOYSA-N
XLogP1.38
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2,4-triazin-3-yl)pentanamide?
The IUPAC name of 5-bromo-N-(1,2,4-triazin-3-yl)pentanamide (CID 107910683) is 5-bromo-N-(1,2,4-triazin-3-yl)pentanamide.
What is the SMILES notation for 5-bromo-N-(1,2,4-triazin-3-yl)pentanamide?
The canonical SMILES for 5-bromo-N-(1,2,4-triazin-3-yl)pentanamide is O=C(CCCCBr)Nc1nccnn1.
What is the InChIKey of 5-bromo-N-(1,2,4-triazin-3-yl)pentanamide?
The InChIKey is RPRWNRZQLHTREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O/c9-4-2-1-3-7(14)12-8-10-5-6-11-13-8/h5-6H,1-4H2,(H,10,12,13,14).
What are the key properties of 5-bromo-N-(1,2,4-triazin-3-yl)pentanamide?
5-bromo-N-(1,2,4-triazin-3-yl)pentanamide has a molecular weight of 259.11 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,2,4-triazin-3-yl)pentanamide is sourced from PubChem (CID 107910683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).