2-(5-bromo-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C10H10BrN5O2 — CID 54884811

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCc1ncn[nH]1
InChIInChI=1S/C10H10BrN5O2/c11-7-1-2-10(18)16(4-7)5-9(17)12-3-8-13-6-14-15-8/h1-2,4,6H,3,5H2,(H,12,17)(H,13,14,15)
InChIKeyZRAVURAVIBLRSF-UHFFFAOYSA-N
MW312.13 g/mol
LogP0.05
Rot. Bonds4

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 54884811) has the molecular formula C10H10BrN5O2 and a molecular weight of 312.13 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID54884811
Molecular FormulaC10H10BrN5O2
Molecular Weight312.13 g/mol
Exact Mass311.00
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCc1ncn[nH]1
InChIInChI=1S/C10H10BrN5O2/c11-7-1-2-10(18)16(4-7)5-9(17)12-3-8-13-6-14-15-8/h1-2,4,6H,3,5H2,(H,12,17)(H,13,14,15)
InChIKeyZRAVURAVIBLRSF-UHFFFAOYSA-N
XLogP0.05
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 54884811) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(Cn1cc(Br)ccc1=O)NCc1ncn[nH]1.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is ZRAVURAVIBLRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O2/c11-7-1-2-10(18)16(4-7)5-9(17)12-3-8-13-6-14-15-8/h1-2,4,6H,3,5H2,(H,12,17)(H,13,14,15).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 312.13 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 54884811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).