methyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate

C14H16N4O3 — CID 166230172

IUPACmethyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C14H16N4O3/c1-3-18(9-11(19)21-2)14(20)13-12(15-17-16-13)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyJPZLLTBJQQNVEX-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.11
Rot. Bonds5

About methyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate

methyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate (PubChem CID 166230172) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is methyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate
PubChem CID166230172
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Namemethyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C14H16N4O3/c1-3-18(9-11(19)21-2)14(20)13-12(15-17-16-13)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyJPZLLTBJQQNVEX-UHFFFAOYSA-N
XLogP1.11
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate (CID 166230172) is methyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate is CCN(CC(=O)OC)C(=O)c1n[nH]nc1-c1ccccc1.
What is the InChIKey of methyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate?
The InChIKey is JPZLLTBJQQNVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-3-18(9-11(19)21-2)14(20)13-12(15-17-16-13)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,15,16,17).
What are the key properties of methyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate?
methyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate has a molecular weight of 288.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 166230172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).