N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-nitrophenoxy)acetamide

C11H11N5O5 — CID 83090279

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-nitrophenoxy)acetamide
SMILESCOc1n[nH]c(NC(=O)COc2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C11H11N5O5/c1-20-11-13-10(14-15-11)12-9(17)6-21-8-4-2-3-7(5-8)16(18)19/h2-5H,6H2,1H3,(H2,12,13,14,15,17)
InChIKeyCUGWOPWQKYNLMX-UHFFFAOYSA-N
MW293.24 g/mol
LogP0.74
Rot. Bonds6

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-nitrophenoxy)acetamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-nitrophenoxy)acetamide (PubChem CID 83090279) has the molecular formula C11H11N5O5 and a molecular weight of 293.24 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-nitrophenoxy)acetamide
PubChem CID83090279
Molecular FormulaC11H11N5O5
Molecular Weight293.24 g/mol
Exact Mass293.08
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-nitrophenoxy)acetamide
SMILESCOc1n[nH]c(NC(=O)COc2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C11H11N5O5/c1-20-11-13-10(14-15-11)12-9(17)6-21-8-4-2-3-7(5-8)16(18)19/h2-5H,6H2,1H3,(H2,12,13,14,15,17)
InChIKeyCUGWOPWQKYNLMX-UHFFFAOYSA-N
XLogP0.74
TPSA132.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 83093509
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
2-(3-chlorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104818243
2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-nitrobenzamide
CID 83086436
N-(3-chloro-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865374
N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865526
N-(4-methylsulfanylphenyl)-2-(3-nitrophenoxy)acetamide
CID 51287734
1-[[2-(3-nitrophenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65452394
N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865149
1-methoxy-3-(3-nitrophenoxy)propan-2-one
CID 107508001
N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide
CID 7865052
2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide
CID 51480450

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-nitrophenoxy)acetamide (CID 83090279) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-nitrophenoxy)acetamide is COc1n[nH]c(NC(=O)COc2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-nitrophenoxy)acetamide?
The InChIKey is CUGWOPWQKYNLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O5/c1-20-11-13-10(14-15-11)12-9(17)6-21-8-4-2-3-7(5-8)16(18)19/h2-5H,6H2,1H3,(H2,12,13,14,15,17).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-nitrophenoxy)acetamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-nitrophenoxy)acetamide has a molecular weight of 293.24 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 83090279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).