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

C11H12N4O2 — CID 83102734

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
SMILESCOc1n[nH]c(NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C11H12N4O2/c1-17-11-13-10(14-15-11)12-9(16)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,15,16)
InChIKeyLGMTZEILCIDTTF-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.99
Rot. Bonds4

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide (PubChem CID 83102734) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
PubChem CID83102734
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
SMILESCOc1n[nH]c(NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C11H12N4O2/c1-17-11-13-10(14-15-11)12-9(16)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,15,16)
InChIKeyLGMTZEILCIDTTF-UHFFFAOYSA-N
XLogP0.99
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093707
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide
CID 83092837
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 83093509
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-2-ylacetamide
CID 83101826
2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093520
2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83101153
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 154786179
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide
CID 83093046
4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide
CID 83095957
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide
CID 83092749
2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83092939
2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83086537

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide (CID 83102734) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide is COc1n[nH]c(NC(=O)Cc2ccccc2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide?
The InChIKey is LGMTZEILCIDTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-11-13-10(14-15-11)12-9(16)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,15,16).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide has a molecular weight of 232.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide is sourced from PubChem (CID 83102734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).