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

C12H14N4O2 — CID 774434

IUPAC2-(3,5-dimethylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nn2cnnc2)c1
InChIInChI=1S/C12H14N4O2/c1-9-3-10(2)5-11(4-9)18-6-12(17)15-16-7-13-14-8-16/h3-5,7-8H,6H2,1-2H3,(H,15,17)
InChIKeyMBAOZGVKYBTLPT-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.04
Rot. Bonds4

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

2-(3,5-dimethylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 774434) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID774434
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(3,5-dimethylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nn2cnnc2)c1
InChIInChI=1S/C12H14N4O2/c1-9-3-10(2)5-11(4-9)18-6-12(17)15-16-7-13-14-8-16/h3-5,7-8H,6H2,1-2H3,(H,15,17)
InChIKeyMBAOZGVKYBTLPT-UHFFFAOYSA-N
XLogP1.04
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide
CID 814698
2-(2,3-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 674929
2-(4-bromo-3-methylphenoxy)-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 660879
3-(4-methoxyphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide
CID 1204060
2-(4-bromo-2,5-dimethylphenoxy)-N-4H-1,2,4-triazol-4-ylacetamide
CID 1253774
4-[(2,4-dimethylphenoxy)acetyl]-4H-1,2,4-triazol-3-amine
CID 2940581
2-(3-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)propanamide
CID 6471361
2-(4-chloro-3,5-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 703736
N-(4H-1,2,4-triazol-3-yl)-2-[4-(methylethyl)phenoxy]acetamide
CID 704245
Cambridge id 7331780
CID 887611

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide (CID 774434) is 2-(3,5-dimethylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide is Cc1cc(C)cc(OCC(=O)Nn2cnnc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is MBAOZGVKYBTLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-9-3-10(2)5-11(4-9)18-6-12(17)15-16-7-13-14-8-16/h3-5,7-8H,6H2,1-2H3,(H,15,17).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
2-(3,5-dimethylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 246.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 774434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).