N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide

C14H17N5O2 — CID 114419537

IUPACN-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)Cn1cc(C(C)N)nn1
InChIInChI=1S/C14H17N5O2/c1-9(15)13-7-19(18-17-13)8-14(21)16-12-6-4-3-5-11(12)10(2)20/h3-7,9H,8,15H2,1-2H3,(H,16,21)
InChIKeyUZSJMCKELSGXDD-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.14
Rot. Bonds5

About N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide

N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide (PubChem CID 114419537) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
PubChem CID114419537
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)Cn1cc(C(C)N)nn1
InChIInChI=1S/C14H17N5O2/c1-9(15)13-7-19(18-17-13)8-14(21)16-12-6-4-3-5-11(12)10(2)20/h3-7,9H,8,15H2,1-2H3,(H,16,21)
InChIKeyUZSJMCKELSGXDD-UHFFFAOYSA-N
XLogP1.14
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 114420083
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 114419929
N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399987
2-[4-(1-aminoethyl)triazol-1-yl]-N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)acetamide
CID 114419583
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
CID 114419901
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 114419794
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 106227595
2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid
CID 96739590
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 106228283
2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide
CID 106229529
3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 114420013

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide (CID 114419537) is N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide is CC(=O)c1ccccc1NC(=O)Cn1cc(C(C)N)nn1.
What is the InChIKey of N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide?
The InChIKey is UZSJMCKELSGXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9(15)13-7-19(18-17-13)8-14(21)16-12-6-4-3-5-11(12)10(2)20/h3-7,9H,8,15H2,1-2H3,(H,16,21).
What are the key properties of N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide?
N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide has a molecular weight of 287.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 114419537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).