(2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide

C13H17N5O — CID 104897284

IUPAC(2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide
SMILESCC(NC(=O)[C@@H](N)c1ccccc1)c1nncn1C
InChIInChI=1S/C13H17N5O/c1-9(12-17-15-8-18(12)2)16-13(19)11(14)10-6-4-3-5-7-10/h3-9,11H,14H2,1-2H3,(H,16,19)/t9?,11-/m0/s1
InChIKeyAHJUWVYYZFSZOY-UMJHXOGRSA-N
MW259.31 g/mol
LogP0.69
Rot. Bonds4

About (2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide

(2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide (PubChem CID 104897284) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide
PubChem CID104897284
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide
SMILESCC(NC(=O)[C@@H](N)c1ccccc1)c1nncn1C
InChIInChI=1S/C13H17N5O/c1-9(12-17-15-8-18(12)2)16-13(19)11(14)10-6-4-3-5-7-10/h3-9,11H,14H2,1-2H3,(H,16,19)/t9?,11-/m0/s1
InChIKeyAHJUWVYYZFSZOY-UMJHXOGRSA-N
XLogP0.69
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide
CID 43706336
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953214
2-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide
CID 62118651
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]benzoic acid
CID 60941368
2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide
CID 62489274
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94047977
2-bromo-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 54878197
(3R)-4,4,4-trifluoro-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylbutanamide
CID 95294333
2-(aminomethyl)-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 55038246
methyl 3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylpropanoate
CID 64560187
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 60837807
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-sulfanylidenepropanamide
CID 62117174

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide (CID 104897284) is (2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide is CC(NC(=O)[C@@H](N)c1ccccc1)c1nncn1C.
What is the InChIKey of (2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide?
The InChIKey is AHJUWVYYZFSZOY-UMJHXOGRSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9(12-17-15-8-18(12)2)16-13(19)11(14)10-6-4-3-5-7-10/h3-9,11H,14H2,1-2H3,(H,16,19)/t9?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide?
(2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide has a molecular weight of 259.31 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 104897284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).