2-[2-(5-methyl-2-phenyltriazol-4-yl)ethylamino]acetamide

C13H17N5O — CID 143175974

IUPAC2-[2-(5-methyl-2-phenyltriazol-4-yl)ethylamino]acetamide
SMILESCc1nn(-c2ccccc2)nc1CCNCC(N)=O
InChIInChI=1S/C13H17N5O/c1-10-12(7-8-15-9-13(14)19)17-18(16-10)11-5-3-2-4-6-11/h2-6,15H,7-9H2,1H3,(H2,14,19)
InChIKeyJIURUJWNBUOTOM-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.19
Rot. Bonds6

About 2-[2-(5-methyl-2-phenyltriazol-4-yl)ethylamino]acetamide

2-[2-(5-methyl-2-phenyltriazol-4-yl)ethylamino]acetamide (PubChem CID 143175974) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[2-(5-methyl-2-phenyltriazol-4-yl)ethylamino]acetamide.

Molecular Properties

Compound Name2-[2-(5-methyl-2-phenyltriazol-4-yl)ethylamino]acetamide
PubChem CID143175974
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-[2-(5-methyl-2-phenyltriazol-4-yl)ethylamino]acetamide
SMILESCc1nn(-c2ccccc2)nc1CCNCC(N)=O
InChIInChI=1S/C13H17N5O/c1-10-12(7-8-15-9-13(14)19)17-18(16-10)11-5-3-2-4-6-11/h2-6,15H,7-9H2,1H3,(H2,14,19)
InChIKeyJIURUJWNBUOTOM-UHFFFAOYSA-N
XLogP0.19
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-2-phenyltriazol-4-yl)ethylamino]acetamide?
The IUPAC name of 2-[2-(5-methyl-2-phenyltriazol-4-yl)ethylamino]acetamide (CID 143175974) is 2-[2-(5-methyl-2-phenyltriazol-4-yl)ethylamino]acetamide.
What is the SMILES notation for 2-[2-(5-methyl-2-phenyltriazol-4-yl)ethylamino]acetamide?
The canonical SMILES for 2-[2-(5-methyl-2-phenyltriazol-4-yl)ethylamino]acetamide is Cc1nn(-c2ccccc2)nc1CCNCC(N)=O.
What is the InChIKey of 2-[2-(5-methyl-2-phenyltriazol-4-yl)ethylamino]acetamide?
The InChIKey is JIURUJWNBUOTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-12(7-8-15-9-13(14)19)17-18(16-10)11-5-3-2-4-6-11/h2-6,15H,7-9H2,1H3,(H2,14,19).
What are the key properties of 2-[2-(5-methyl-2-phenyltriazol-4-yl)ethylamino]acetamide?
2-[2-(5-methyl-2-phenyltriazol-4-yl)ethylamino]acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-2-phenyltriazol-4-yl)ethylamino]acetamide is sourced from PubChem (CID 143175974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).