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

C14H19N5O — CID 62489274

IUPAC2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide
SMILESCC(NC(=O)C(C)(N)c1ccccc1)c1nncn1C
InChIInChI=1S/C14H19N5O/c1-10(12-18-16-9-19(12)3)17-13(20)14(2,15)11-7-5-4-6-8-11/h4-10H,15H2,1-3H3,(H,17,20)
InChIKeyHNTQRSYJPQZSJI-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.87
Rot. Bonds4

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

2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide (PubChem CID 62489274) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide
PubChem CID62489274
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide
SMILESCC(NC(=O)C(C)(N)c1ccccc1)c1nncn1C
InChIInChI=1S/C14H19N5O/c1-10(12-18-16-9-19(12)3)17-13(20)14(2,15)11-7-5-4-6-8-11/h4-10H,15H2,1-3H3,(H,17,20)
InChIKeyHNTQRSYJPQZSJI-UHFFFAOYSA-N
XLogP0.87
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-oxopropanoic acid
CID 82821196
2,2,2-trifluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63374666
(2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide
CID 104897284
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]benzoic acid
CID 60941368
2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 62833078
1-tert-butyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 115585810
2-amino-N-(1-amino-1-oxopropan-2-yl)-2-phenylpropanamide
CID 62488756
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
CID 120587567
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide
CID 43706336
2-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 62119598
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953214
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide (CID 62489274) is 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide is CC(NC(=O)C(C)(N)c1ccccc1)c1nncn1C.
What is the InChIKey of 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide?
The InChIKey is HNTQRSYJPQZSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10(12-18-16-9-19(12)3)17-13(20)14(2,15)11-7-5-4-6-8-11/h4-10H,15H2,1-3H3,(H,17,20).
What are the key properties of 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide?
2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 62489274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).