2-(2,6-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide

C12H14N4O2 — CID 650512

IUPAC2-(2,6-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C12H14N4O2/c1-8-4-3-5-9(2)11(8)18-6-10(17)15-12-13-7-14-16-12/h3-5,7H,6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyLOLYMGJKWQAICY-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.44
Rot. Bonds4

About 2-(2,6-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(2,6-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 650512) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID650512
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(2,6-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C12H14N4O2/c1-8-4-3-5-9(2)11(8)18-6-10(17)15-12-13-7-14-16-12/h3-5,7H,6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyLOLYMGJKWQAICY-UHFFFAOYSA-N
XLogP1.44
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 704205
2-Phenoxy-N-(4H-[1,2,4]triazol-3-yl)-acetamide
CID 555301
2-(4-bromo-2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 1119557
2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 720861
2-(2,4-Dimethyl-phenoxy)-N-(2-methyl-2H-tetrazol-5-yl)-acetamide
CID 654531
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698942
2-(2-Tert-butylphenoxy)-N-(4H-1,2,4-triazol-3-YL)acetamide
CID 719144
2-(2-bromo-4-ethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 7375770
2-(2,3-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 674929
2-(2-bromo-4-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 719106
2-(4-bromo-2,3,5-trimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 15991434
4-[(2,4-dimethylphenoxy)acetyl]-4H-1,2,4-triazol-3-amine
CID 2940581

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 650512) is 2-(2,6-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is Cc1cccc(C)c1OCC(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is LOLYMGJKWQAICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-4-3-5-9(2)11(8)18-6-10(17)15-12-13-7-14-16-12/h3-5,7H,6H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(2,6-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 246.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 650512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).