2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide

C7H12N6O2 — CID 114778471

IUPAC2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(CC(N)=O)nn1
InChIInChI=1S/C7H12N6O2/c8-1-7(15)10-2-5-3-13(12-11-5)4-6(9)14/h3H,1-2,4,8H2,(H2,9,14)(H,10,15)
InChIKeyDKSYXQWSDRXBKW-UHFFFAOYSA-N
MW212.21 g/mol
LogP-2.66
Rot. Bonds5

About 2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide

2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide (PubChem CID 114778471) has the molecular formula C7H12N6O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
PubChem CID114778471
Molecular FormulaC7H12N6O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(CC(N)=O)nn1
InChIInChI=1S/C7H12N6O2/c8-1-7(15)10-2-5-3-13(12-11-5)4-6(9)14/h3H,1-2,4,8H2,(H2,9,14)(H,10,15)
InChIKeyDKSYXQWSDRXBKW-UHFFFAOYSA-N
XLogP-2.66
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-2.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide
CID 114778830
2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
CID 114280351
2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778828
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
4-[[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]methyl]benzamide
CID 114778729
2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778147
2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide
CID 114778434
2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide
CID 114778652
2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide
CID 114778162
2-amino-N-[[1-[2-(4-bromophenoxy)ethyl]triazol-4-yl]methyl]acetamide
CID 114778611
2-amino-N-[[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778664
2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide
CID 114778822

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide (CID 114778471) is 2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide is NCC(=O)NCc1cn(CC(N)=O)nn1.
What is the InChIKey of 2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide?
The InChIKey is DKSYXQWSDRXBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O2/c8-1-7(15)10-2-5-3-13(12-11-5)4-6(9)14/h3H,1-2,4,8H2,(H2,9,14)(H,10,15).
What are the key properties of 2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide has a molecular weight of 212.21 g/mol, XLogP of -2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).