2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide

C14H19N5O — CID 115460197

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide
SMILESCc1cccc([C@@H](C)NC(=O)Cn2cc(CN)nn2)c1
InChIInChI=1S/C14H19N5O/c1-10-4-3-5-12(6-10)11(2)16-14(20)9-19-8-13(7-15)17-18-19/h3-6,8,11H,7,9,15H2,1-2H3,(H,16,20)/t11-/m1/s1
InChIKeyAIRJFAKTBVYBCA-LLVKDONJSA-N
MW273.34 g/mol
LogP0.92
Rot. Bonds5

About 2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide (PubChem CID 115460197) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide
PubChem CID115460197
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide
SMILESCc1cccc([C@@H](C)NC(=O)Cn2cc(CN)nn2)c1
InChIInChI=1S/C14H19N5O/c1-10-4-3-5-12(6-10)11(2)16-14(20)9-19-8-13(7-15)17-18-19/h3-6,8,11H,7,9,15H2,1-2H3,(H,16,20)/t11-/m1/s1
InChIKeyAIRJFAKTBVYBCA-LLVKDONJSA-N
XLogP0.92
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 115459911
2-[4-(aminomethyl)triazol-1-yl]-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 115459468
2-[4-(aminomethyl)triazol-1-yl]-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 115460194
2-[4-(aminomethyl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 115459105
2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81360481
1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide
CID 81360225
3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]propanoate
CID 115459166
2-[4-(aminomethyl)triazol-1-yl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 115459139
2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol
CID 81363740
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]butanoic acid
CID 113314112
2-[4-(aminomethyl)triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 62053635

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide (CID 115460197) is 2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide is Cc1cccc([C@@H](C)NC(=O)Cn2cc(CN)nn2)c1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide?
The InChIKey is AIRJFAKTBVYBCA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-4-3-5-12(6-10)11(2)16-14(20)9-19-8-13(7-15)17-18-19/h3-6,8,11H,7,9,15H2,1-2H3,(H,16,20)/t11-/m1/s1.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 115460197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).