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

C9H7N5O3 — CID 6436102

💊View drug profile → furalazine
IUPAC6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine
SMILESNc1ncc(/C=C/c2ccc([N+](=O)[O-])o2)nn1
InChIInChI=1S/C9H7N5O3/c10-9-11-5-6(12-13-9)1-2-7-3-4-8(17-7)14(15)16/h1-5H,(H2,10,11,13)/b2-1+
InChIKeyRWOLIGKRDWLZSV-OWOJBTEDSA-N
MW233.19 g/mol
LogP1.13
Rot. Bonds3

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

6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine (PubChem CID 6436102) has the molecular formula C9H7N5O3 and a molecular weight of 233.19 g/mol. Its IUPAC name is 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine
PubChem CID6436102
Molecular FormulaC9H7N5O3
Molecular Weight233.19 g/mol
Exact Mass233.05
IUPAC Name6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine
SMILESNc1ncc(/C=C/c2ccc([N+](=O)[O-])o2)nn1
InChIInChI=1S/C9H7N5O3/c10-9-11-5-6(12-13-9)1-2-7-3-4-8(17-7)14(15)16/h1-5H,(H2,10,11,13)/b2-1+
InChIKeyRWOLIGKRDWLZSV-OWOJBTEDSA-N
XLogP1.13
TPSA120.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.13
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
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
Acetylfuratrizine
CID 6433295
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
2-Pyrimidinamine, N-((5-nitro-2-furanyl)methylene)-
CID 9589012
2-Pyrimidinamine, 4-methyl-N-((5-nitro-2-furanyl)methylene)-
CID 9589013
5-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 12281673
7-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazo[1,2-a]pyrimidin-5-amine
CID 12281675
3-Amino-6-[2-(5-nitro-2-furyl)-vinyl]-1,2,4-triazin
CID 68931

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine?
The IUPAC name of 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine (CID 6436102) is 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine is Nc1ncc(/C=C/c2ccc([N+](=O)[O-])o2)nn1.
What is the InChIKey of 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine?
The InChIKey is RWOLIGKRDWLZSV-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H7N5O3/c10-9-11-5-6(12-13-9)1-2-7-3-4-8(17-7)14(15)16/h1-5H,(H2,10,11,13)/b2-1+.
What are the key properties of 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine?
6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine has a molecular weight of 233.19 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 6436102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).