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

C6H6N8O2 — CID 2718211

IUPACN,N'-bis(1,2,4-triazol-4-yl)oxamide
SMILESO=C(Nn1cnnc1)C(=O)Nn1cnnc1
InChIInChI=1S/C6H6N8O2/c15-5(11-13-1-7-8-2-13)6(16)12-14-3-9-10-4-14/h1-4H,(H,11,15)(H,12,16)
InChIKeyGWFWQJALCOUKRR-UHFFFAOYSA-N
MW222.17 g/mol
LogP-2.29
Rot. Bonds2

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

N,N'-bis(1,2,4-triazol-4-yl)oxamide (PubChem CID 2718211) has the molecular formula C6H6N8O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is N,N'-bis(1,2,4-triazol-4-yl)oxamide.

Molecular Properties

Compound NameN,N'-bis(1,2,4-triazol-4-yl)oxamide
PubChem CID2718211
Molecular FormulaC6H6N8O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC NameN,N'-bis(1,2,4-triazol-4-yl)oxamide
SMILESO=C(Nn1cnnc1)C(=O)Nn1cnnc1
InChIInChI=1S/C6H6N8O2/c15-5(11-13-1-7-8-2-13)6(16)12-14-3-9-10-4-14/h1-4H,(H,11,15)(H,12,16)
InChIKeyGWFWQJALCOUKRR-UHFFFAOYSA-N
XLogP-2.29
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 5-2.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(1,2,4-triazol-4-yl)propanamide
CID 3617989
2-bromo-N-(1,2,4-triazol-4-yl)acetamide
CID 3416412
N-(6-methyl-2-pyridinyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519128
N-(4-nitrophenyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 3834481
N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519080
N-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108506085
N-(3-methyl-2-pyridinyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519230
4-oxo-4-(1,2,4-triazol-4-ylamino)but-2-enoic acid
CID 4299909
N-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519183
1-(1,2,4-triazol-4-yl)-3-[8-(1,2,4-triazol-4-ylcarbamoylamino)octyl]urea
CID 102476065
3-methyl-N-(1,2,4-triazol-4-yl)butanamide
CID 4601407
N-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108510281

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1,2,4-triazol-4-yl)oxamide?
The IUPAC name of N,N'-bis(1,2,4-triazol-4-yl)oxamide (CID 2718211) is N,N'-bis(1,2,4-triazol-4-yl)oxamide.
What is the SMILES notation for N,N'-bis(1,2,4-triazol-4-yl)oxamide?
The canonical SMILES for N,N'-bis(1,2,4-triazol-4-yl)oxamide is O=C(Nn1cnnc1)C(=O)Nn1cnnc1.
What is the InChIKey of N,N'-bis(1,2,4-triazol-4-yl)oxamide?
The InChIKey is GWFWQJALCOUKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N8O2/c15-5(11-13-1-7-8-2-13)6(16)12-14-3-9-10-4-14/h1-4H,(H,11,15)(H,12,16).
What are the key properties of N,N'-bis(1,2,4-triazol-4-yl)oxamide?
N,N'-bis(1,2,4-triazol-4-yl)oxamide has a molecular weight of 222.17 g/mol, XLogP of -2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1,2,4-triazol-4-yl)oxamide is sourced from PubChem (CID 2718211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).