2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide

C7H13N5O2 — CID 165459946

IUPAC2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide
SMILESCOC[C@@H](N)c1cnnn1CC(N)=O
InChIInChI=1S/C7H13N5O2/c1-14-4-5(8)6-2-10-11-12(6)3-7(9)13/h2,5H,3-4,8H2,1H3,(H2,9,13)/t5-/m1/s1
InChIKeyOGKNUVFAGZOSDB-RXMQYKEDSA-N
MW199.21 g/mol
LogP-1.59
Rot. Bonds5

About 2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide

2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide (PubChem CID 165459946) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide
PubChem CID165459946
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide
SMILESCOC[C@@H](N)c1cnnn1CC(N)=O
InChIInChI=1S/C7H13N5O2/c1-14-4-5(8)6-2-10-11-12(6)3-7(9)13/h2,5H,3-4,8H2,1H3,(H2,9,13)/t5-/m1/s1
InChIKeyOGKNUVFAGZOSDB-RXMQYKEDSA-N
XLogP-1.59
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216250
1-(3-Methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216319
1-(3-Methyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103474788
1-(3-Propyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103474791
N-ethyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 113789422
1-(3-ethyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 114213296
1-(3-Ethyltriazol-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 114213298
(1S)-1-[1-(3-fluoropropyl)-1H-1,2,3-triazol-5-yl]-2-methoxyethan-1-amine
CID 165451285
(1S)-1-[1-(2,2-difluoroethyl)-1H-1,2,3-triazol-5-yl]-2-methoxyethan-1-amine
CID 165451286
(1R)-1-[1-(3-fluoropropyl)-1H-1,2,3-triazol-5-yl]-2-methoxyethan-1-amine
CID 165457722
1-[1-(2,2-difluoroethyl)-1H-1,2,3-triazol-5-yl]-2-methoxyethan-1-amine
CID 165457723
1-[1-(3-fluoropropyl)-1H-1,2,3-triazol-5-yl]-2-methoxyethan-1-amine
CID 165848021

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide?
The IUPAC name of 2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide (CID 165459946) is 2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide.
What is the SMILES notation for 2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide?
The canonical SMILES for 2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide is COC[C@@H](N)c1cnnn1CC(N)=O.
What is the InChIKey of 2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide?
The InChIKey is OGKNUVFAGZOSDB-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-14-4-5(8)6-2-10-11-12(6)3-7(9)13/h2,5H,3-4,8H2,1H3,(H2,9,13)/t5-/m1/s1.
What are the key properties of 2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide?
2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide has a molecular weight of 199.21 g/mol, XLogP of -1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide is sourced from PubChem (CID 165459946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).