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

C11H9N5O4 — CID 6433295

IUPACN-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide
SMILESCC(=O)Nc1ncc(/C=C/c2ccc([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)/b3-2+
InChIKeySWMPGCCDXNLPED-NSCUHMNNSA-N
MW275.22 g/mol
LogP1.50
Rot. Bonds4

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

N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide (PubChem CID 6433295) has the molecular formula C11H9N5O4 and a molecular weight of 275.22 g/mol. Its IUPAC name is N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide
PubChem CID6433295
Molecular FormulaC11H9N5O4
Molecular Weight275.22 g/mol
Exact Mass275.07
IUPAC NameN-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide
SMILESCC(=O)Nc1ncc(/C=C/c2ccc([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)/b3-2+
InChIKeySWMPGCCDXNLPED-NSCUHMNNSA-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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Related Compounds

Dihydroxymethylfuratrizine
CID 6414792
Furalazine
CID 6436102
4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine
CID 6864876
6-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-4-oxido-1,2,4-triazin-4-ium
CID 11184222
3-Amino-6-[2-(5-nitro-2-furyl)-vinyl]-1,2,4-triazin
CID 68931
Acetamide, N-acetyl-N-(6-(2-(5-nitro-2-furanyl)ethenyl)-1,2,4-triazin-2-yl)-
CID 6438231
1,2,4-Triazin-3-amine, 6-(2-(5-nitro-2-furanyl)ethenyl)-, monohydrochloride
CID 6441285
2-Furaldehyde, 5-nitro-, methyl(6-methyl-4-pyrimidinyl)hydrazone
CID 9578506
Pyrimido(4,5-e)-as-triazine-6(5H),8(7H)-dione, 3-(2-(5-nitrofurfurylidene)hydrazino)-
CID 9588292
2-Pyrimidinamine, 4-methyl-N-((5-nitro-2-furanyl)methylene)-
CID 9589013
[Hydroxymethyl-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]amino]methanol
CID 61214
5-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 12281673

Frequently Asked Questions

What is the IUPAC name of N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide?
The IUPAC name of N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide (CID 6433295) is N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide.
What is the SMILES notation for N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide?
The canonical SMILES for N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide is CC(=O)Nc1ncc(/C=C/c2ccc([N+](=O)[O-])o2)nn1.
What is the InChIKey of N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide?
The InChIKey is SWMPGCCDXNLPED-NSCUHMNNSA-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)/b3-2+.
What are the key properties of N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide?
N-[6-[(E)-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-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide is sourced from PubChem (CID 6433295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).