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

C15H21N5O — CID 62118651

IUPAC2-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide
SMILESCC(NC(=O)C(CN)Cc1ccccc1)c1nncn1C
InChIInChI=1S/C15H21N5O/c1-11(14-19-17-10-20(14)2)18-15(21)13(9-16)8-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,16H2,1-2H3,(H,18,21)
InChIKeySOBZGBOCLUAPMC-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.81
Rot. Bonds6

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

2-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide (PubChem CID 62118651) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide
PubChem CID62118651
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide
SMILESCC(NC(=O)C(CN)Cc1ccccc1)c1nncn1C
InChIInChI=1S/C15H21N5O/c1-11(14-19-17-10-20(14)2)18-15(21)13(9-16)8-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,16H2,1-2H3,(H,18,21)
InChIKeySOBZGBOCLUAPMC-UHFFFAOYSA-N
XLogP0.81
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylbutanamide
CID 122146140
(2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide
CID 104897284
2-(aminomethyl)-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 55038246
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide
CID 43706336
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-ylphenyl)acetamide
CID 155960696
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-sulfanylidenepropanamide
CID 62117174
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953214
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 94120064
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-[4-(aminomethyl)phenyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 62118708
1-[2-(dimethylamino)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)urea
CID 94119987

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide (CID 62118651) is 2-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide is CC(NC(=O)C(CN)Cc1ccccc1)c1nncn1C.
What is the InChIKey of 2-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide?
The InChIKey is SOBZGBOCLUAPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(14-19-17-10-20(14)2)18-15(21)13(9-16)8-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,16H2,1-2H3,(H,18,21).
What are the key properties of 2-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide?
2-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide has a molecular weight of 287.37 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 62118651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).