N-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide

C11H9N5O4 — CID 15705

IUPACN-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide
SMILESCC(=O)Nc1ncc(C=Cc2ccc([N+](=O)[O-])o2)nn1
InChIInChI=1S/C11H9N5O4/c1-7(17)13-11-12-6-8(14-15-11)2-3-9-4-5-10(20-9)16(18)19/h2-6H,1H3,(H,12,13,15,17)
InChIKeySWMPGCCDXNLPED-UHFFFAOYSA-N
MW275.22 g/mol
LogP1.50
Rot. Bonds4

About N-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide

N-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide (PubChem CID 15705) has the molecular formula C11H9N5O4 and a molecular weight of 275.22 g/mol. Its IUPAC name is N-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide
PubChem CID15705
Molecular FormulaC11H9N5O4
Molecular Weight275.22 g/mol
Exact Mass275.07
IUPAC NameN-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide
SMILESCC(=O)Nc1ncc(C=Cc2ccc([N+](=O)[O-])o2)nn1
InChIInChI=1S/C11H9N5O4/c1-7(17)13-11-12-6-8(14-15-11)2-3-9-4-5-10(20-9)16(18)19/h2-6H,1H3,(H,12,13,15,17)
InChIKeySWMPGCCDXNLPED-UHFFFAOYSA-N
XLogP1.50
TPSA124.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide?
The IUPAC name of N-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide (CID 15705) is N-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide.
What is the SMILES notation for N-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide?
The canonical SMILES for N-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide is CC(=O)Nc1ncc(C=Cc2ccc([N+](=O)[O-])o2)nn1.
What is the InChIKey of N-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide?
The InChIKey is SWMPGCCDXNLPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O4/c1-7(17)13-11-12-6-8(14-15-11)2-3-9-4-5-10(20-9)16(18)19/h2-6H,1H3,(H,12,13,15,17).
What are the key properties of N-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide?
N-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide has a molecular weight of 275.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide is sourced from PubChem (CID 15705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).