2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide

C6H8N6O — CID 165479292

IUPAC2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)Cn1cc(N)nn1
InChIInChI=1S/C6H8N6O/c7-1-2-9-6(13)4-12-3-5(8)10-11-12/h3H,2,4,8H2,(H,9,13)
InChIKeyBLOHUWKSTHFTGO-UHFFFAOYSA-N
MW180.17 g/mol
LogP-1.50
Rot. Bonds3

About 2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide

2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide (PubChem CID 165479292) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide
PubChem CID165479292
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)Cn1cc(N)nn1
InChIInChI=1S/C6H8N6O/c7-1-2-9-6(13)4-12-3-5(8)10-11-12/h3H,2,4,8H2,(H,9,13)
InChIKeyBLOHUWKSTHFTGO-UHFFFAOYSA-N
XLogP-1.50
TPSA109.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide
CID 165480854
ethyl 4-amino-1-[2-(cyanomethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344822
2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 112523866
2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 112522186
2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N-(cyanomethyl)acetamide
CID 103098605
2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 112522674
2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide
CID 112527109
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
methyl 1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylate
CID 103642831
ethyl 4-amino-1-[2-(2-cyanoethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344908
2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide
CID 106186838

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide (CID 165479292) is 2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide is N#CCNC(=O)Cn1cc(N)nn1.
What is the InChIKey of 2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide?
The InChIKey is BLOHUWKSTHFTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c7-1-2-9-6(13)4-12-3-5(8)10-11-12/h3H,2,4,8H2,(H,9,13).
What are the key properties of 2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide?
2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide has a molecular weight of 180.17 g/mol, XLogP of -1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide is sourced from PubChem (CID 165479292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).