N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide

C6H9N7O — CID 61342865

IUPACN-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILES[N-]=[N+]=NCCNC(=O)Cn1cncn1
InChIInChI=1S/C6H9N7O/c7-12-10-2-1-9-6(14)3-13-5-8-4-11-13/h4-5H,1-3H2,(H,9,14)
InChIKeyHAPYYOSUNHFVKT-UHFFFAOYSA-N
MW195.19 g/mol
LogP-0.30
Rot. Bonds5

About N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 61342865) has the molecular formula C6H9N7O and a molecular weight of 195.19 g/mol. Its IUPAC name is N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID61342865
Molecular FormulaC6H9N7O
Molecular Weight195.19 g/mol
Exact Mass195.09
IUPAC NameN-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILES[N-]=[N+]=NCCNC(=O)Cn1cncn1
InChIInChI=1S/C6H9N7O/c7-12-10-2-1-9-6(14)3-13-5-8-4-11-13/h4-5H,1-3H2,(H,9,14)
InChIKeyHAPYYOSUNHFVKT-UHFFFAOYSA-N
XLogP-0.30
TPSA108.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 107300236
N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 104593785
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 103769453
N-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 115649558
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 104971914
N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 63730542
2-azido-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 46318276
2-ethyl-2-[[[2-(1,2,4-triazol-1-yl)acetyl]amino]methyl]butanoic acid
CID 113308433
2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanediamide
CID 136576473
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 3408500
N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 130626359
N-(2-azidoethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102802240

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 61342865) is N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide is [N-]=[N+]=NCCNC(=O)Cn1cncn1.
What is the InChIKey of N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is HAPYYOSUNHFVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7O/c7-12-10-2-1-9-6(14)3-13-5-8-4-11-13/h4-5H,1-3H2,(H,9,14).
What are the key properties of N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 195.19 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 61342865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).