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

C13H16N4O2 — CID 887611

IUPACN-(1H-1,2,4-triazol-5-yl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C13H16N4O2/c1-8-4-9(2)10(3)11(5-8)19-6-12(18)16-13-14-7-15-17-13/h4-5,7H,6H2,1-3H3,(H2,14,15,16,17,18)
InChIKeySUKJOZMLDCAXPN-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.75
Rot. Bonds4

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

N-(1H-1,2,4-triazol-5-yl)-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 887611) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID887611
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(1H-1,2,4-triazol-5-yl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C13H16N4O2/c1-8-4-9(2)10(3)11(5-8)19-6-12(18)16-13-14-7-15-17-13/h4-5,7H,6H2,1-3H3,(H2,14,15,16,17,18)
InChIKeySUKJOZMLDCAXPN-UHFFFAOYSA-N
XLogP1.75
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)-2-(2,3,5-trimethylphenoxy)acetamide (CID 887611) is N-(1H-1,2,4-triazol-5-yl)-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)-2-(2,3,5-trimethylphenoxy)acetamide is Cc1cc(C)c(C)c(OCC(=O)Nc2ncn[nH]2)c1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is SUKJOZMLDCAXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-4-9(2)10(3)11(5-8)19-6-12(18)16-13-14-7-15-17-13/h4-5,7H,6H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)-2-(2,3,5-trimethylphenoxy)acetamide?
N-(1H-1,2,4-triazol-5-yl)-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 260.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 887611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).