N-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide

C10H8N6O4 — CID 3834481

IUPACN-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nn1cnnc1
InChIInChI=1S/C10H8N6O4/c17-9(10(18)14-15-5-11-12-6-15)13-7-1-3-8(4-2-7)16(19)20/h1-6H,(H,13,17)(H,14,18)
InChIKeyPYADMFVREFOZLR-UHFFFAOYSA-N
MW276.21 g/mol
LogP-0.10
Rot. Bonds3

About N-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide

N-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide (PubChem CID 3834481) has the molecular formula C10H8N6O4 and a molecular weight of 276.21 g/mol. Its IUPAC name is N-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide
PubChem CID3834481
Molecular FormulaC10H8N6O4
Molecular Weight276.21 g/mol
Exact Mass276.06
IUPAC NameN-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nn1cnnc1
InChIInChI=1S/C10H8N6O4/c17-9(10(18)14-15-5-11-12-6-15)13-7-1-3-8(4-2-7)16(19)20/h1-6H,(H,13,17)(H,14,18)
InChIKeyPYADMFVREFOZLR-UHFFFAOYSA-N
XLogP-0.10
TPSA132.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-diamino-1,2,4-triazol-4-yl)-N-(4-nitrophenyl)oxamide
CID 3281440
methyl 2-(4-nitroanilino)-2-oxoacetate
CID 12778881
2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide
CID 17385609
N'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108502754
N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500936
4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17011174
N-(4-nitrophenyl)imidazole-1-carboxamide
CID 14907723
N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500250
N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide
CID 108513126
N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide
CID 7584694
3-imino-2-nitro-N-(4-nitrophenyl)prop-2-enamide
CID 176517020
1-cyano-N-(4-nitrophenyl)formamide
CID 10607728

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide?
The IUPAC name of N-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide (CID 3834481) is N-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide.
What is the SMILES notation for N-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide?
The canonical SMILES for N-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nn1cnnc1.
What is the InChIKey of N-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide?
The InChIKey is PYADMFVREFOZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O4/c17-9(10(18)14-15-5-11-12-6-15)13-7-1-3-8(4-2-7)16(19)20/h1-6H,(H,13,17)(H,14,18).
What are the key properties of N-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide?
N-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide has a molecular weight of 276.21 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide is sourced from PubChem (CID 3834481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).