2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide

C10H10N4O2 — CID 1486531

IUPAC2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
SMILESNC(=O)COc1ncn(-c2ccccc2)n1
InChIInChI=1S/C10H10N4O2/c11-9(15)6-16-10-12-7-14(13-10)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,15)
InChIKeyAPJFLSKSNHXUSS-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.13
Rot. Bonds4

About 2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide

2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide (PubChem CID 1486531) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide.

Molecular Properties

Compound Name2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
PubChem CID1486531
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
SMILESNC(=O)COc1ncn(-c2ccccc2)n1
InChIInChI=1S/C10H10N4O2/c11-9(15)6-16-10-12-7-14(13-10)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,15)
InChIKeyAPJFLSKSNHXUSS-UHFFFAOYSA-N
XLogP0.13
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
CID 171138651
4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid
CID 43246414
1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
CID 171138674
[1-amino-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethylidene]-(2,4-dichlorophenyl)sulfonylazanium
CID 6346158
N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 171138786
N-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074981
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 171138723
N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 171138808
2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pentanoic acid
CID 83037445
5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carboxylic acid
CID 115491172
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 135804235
N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide
CID 171139086

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
The IUPAC name of 2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide (CID 1486531) is 2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide.
What is the SMILES notation for 2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
The canonical SMILES for 2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide is NC(=O)COc1ncn(-c2ccccc2)n1.
What is the InChIKey of 2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
The InChIKey is APJFLSKSNHXUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-9(15)6-16-10-12-7-14(13-10)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,15).
What are the key properties of 2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide has a molecular weight of 218.22 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide is sourced from PubChem (CID 1486531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).