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

C8H5BrN4O2 — CID 130636960

IUPAC5-bromo-N-(1,2,4-triazin-3-yl)furan-3-carboxamide
SMILESO=C(Nc1nccnn1)c1coc(Br)c1
InChIInChI=1S/C8H5BrN4O2/c9-6-3-5(4-15-6)7(14)12-8-10-1-2-11-13-8/h1-4H,(H,10,12,13,14)
InChIKeyJRLGQIRCZCSNMQ-UHFFFAOYSA-N
MW269.06 g/mol
LogP1.48
Rot. Bonds2

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

5-bromo-N-(1,2,4-triazin-3-yl)furan-3-carboxamide (PubChem CID 130636960) has the molecular formula C8H5BrN4O2 and a molecular weight of 269.06 g/mol. Its IUPAC name is 5-bromo-N-(1,2,4-triazin-3-yl)furan-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,2,4-triazin-3-yl)furan-3-carboxamide
PubChem CID130636960
Molecular FormulaC8H5BrN4O2
Molecular Weight269.06 g/mol
Exact Mass267.96
IUPAC Name5-bromo-N-(1,2,4-triazin-3-yl)furan-3-carboxamide
SMILESO=C(Nc1nccnn1)c1coc(Br)c1
InChIInChI=1S/C8H5BrN4O2/c9-6-3-5(4-15-6)7(14)12-8-10-1-2-11-13-8/h1-4H,(H,10,12,13,14)
InChIKeyJRLGQIRCZCSNMQ-UHFFFAOYSA-N
XLogP1.48
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389539
4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide
CID 114388210
5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide
CID 114387334
3-amino-4-fluoro-N-(1,2,4-triazin-3-yl)benzamide
CID 114386756
4-cyano-N-(1,2,4-triazin-3-yl)benzamide
CID 113242350
2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide
CID 102712844
4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide
CID 114389554
4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide
CID 114387361
5-bromofuran-3-carboxamide
CID 10821494
2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
CID 114387350
4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide
CID 107332970
N'-acetyl-5-bromofuran-3-carbohydrazide
CID 130748449

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2,4-triazin-3-yl)furan-3-carboxamide?
The IUPAC name of 5-bromo-N-(1,2,4-triazin-3-yl)furan-3-carboxamide (CID 130636960) is 5-bromo-N-(1,2,4-triazin-3-yl)furan-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,2,4-triazin-3-yl)furan-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1,2,4-triazin-3-yl)furan-3-carboxamide is O=C(Nc1nccnn1)c1coc(Br)c1.
What is the InChIKey of 5-bromo-N-(1,2,4-triazin-3-yl)furan-3-carboxamide?
The InChIKey is JRLGQIRCZCSNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN4O2/c9-6-3-5(4-15-6)7(14)12-8-10-1-2-11-13-8/h1-4H,(H,10,12,13,14).
What are the key properties of 5-bromo-N-(1,2,4-triazin-3-yl)furan-3-carboxamide?
5-bromo-N-(1,2,4-triazin-3-yl)furan-3-carboxamide has a molecular weight of 269.06 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,2,4-triazin-3-yl)furan-3-carboxamide is sourced from PubChem (CID 130636960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).