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

C11H12N4O2 — CID 698940

IUPAC2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C11H12N4O2/c1-8-3-2-4-9(5-8)17-6-10(16)14-11-12-7-13-15-11/h2-5,7H,6H2,1H3,(H2,12,13,14,15,16)
InChIKeyIYYDLXIDWCZROA-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.13
Rot. Bonds4

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

2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 698940) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID698940
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C11H12N4O2/c1-8-3-2-4-9(5-8)17-6-10(16)14-11-12-7-13-15-11/h2-5,7H,6H2,1H3,(H2,12,13,14,15,16)
InChIKeyIYYDLXIDWCZROA-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
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
N-tert-butyl-2-{4-[(1H-1,2,4-triazol-3-ylamino)methyl]phenoxy}acetamide
CID 962363
2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 720861
2-(2,6-dimethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 650512
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
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 586998
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 698940) is 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is Cc1cccc(OCC(=O)Nc2ncn[nH]2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is IYYDLXIDWCZROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8-3-2-4-9(5-8)17-6-10(16)14-11-12-7-13-15-11/h2-5,7H,6H2,1H3,(H2,12,13,14,15,16).
What are the key properties of 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 232.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 698940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).