2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide

C13H13N5O2 — CID 103883525

IUPAC2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCn1cnc(CNC(=O)COc2ccccc2C#N)n1
InChIInChI=1S/C13H13N5O2/c1-18-9-16-12(17-18)7-15-13(19)8-20-11-5-3-2-4-10(11)6-14/h2-5,9H,7-8H2,1H3,(H,15,19)
InChIKeyRUOPPDULFZUJPO-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.38
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide

2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 103883525) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID103883525
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCn1cnc(CNC(=O)COc2ccccc2C#N)n1
InChIInChI=1S/C13H13N5O2/c1-18-9-16-12(17-18)7-15-13(19)8-20-11-5-3-2-4-10(11)6-14/h2-5,9H,7-8H2,1H3,(H,15,19)
InChIKeyRUOPPDULFZUJPO-UHFFFAOYSA-N
XLogP0.38
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285823
2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979331
2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide
CID 60716733
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2565300
2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103884853
2-(2-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142639
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide
CID 48685478
2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302
2-(2-cyanophenoxy)-N-[(2-methylcyclopropyl)methyl]acetamide
CID 47189935

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 103883525) is 2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide is Cn1cnc(CNC(=O)COc2ccccc2C#N)n1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is RUOPPDULFZUJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-18-9-16-12(17-18)7-15-13(19)8-20-11-5-3-2-4-10(11)6-14/h2-5,9H,7-8H2,1H3,(H,15,19).
What are the key properties of 2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 271.28 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 103883525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).