2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide

C14H19N5O2 — CID 115459058

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide
SMILESCCOCc1ccccc1NC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C14H19N5O2/c1-2-21-10-11-5-3-4-6-13(11)16-14(20)9-19-8-12(7-15)17-18-19/h3-6,8H,2,7,9-10,15H2,1H3,(H,16,20)
InChIKeyOLKIFSNJCMVWEB-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.91
Rot. Bonds7

About 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide (PubChem CID 115459058) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide
PubChem CID115459058
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide
SMILESCCOCc1ccccc1NC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C14H19N5O2/c1-2-21-10-11-5-3-4-6-13(11)16-14(20)9-19-8-12(7-15)17-18-19/h3-6,8H,2,7,9-10,15H2,1H3,(H,16,20)
InChIKeyOLKIFSNJCMVWEB-UHFFFAOYSA-N
XLogP0.91
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 62053803
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 116642054
2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 112522674
methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112524017
N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399987
2-[1-[2-(2-methylanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461798
2-[4-(aminomethyl)triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 62053635
(2-bromophenyl)methyl 2-[4-(aminomethyl)triazol-1-yl]acetate
CID 82824371
2-(5-amino-2-pyridinyl)-N-[2-(ethoxymethyl)phenyl]acetamide
CID 107337699
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 66194658
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 106221500
2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide
CID 166362454

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide (CID 115459058) is 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide is CCOCc1ccccc1NC(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide?
The InChIKey is OLKIFSNJCMVWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-21-10-11-5-3-4-6-13(11)16-14(20)9-19-8-12(7-15)17-18-19/h3-6,8H,2,7,9-10,15H2,1H3,(H,16,20).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide is sourced from PubChem (CID 115459058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).