N-methoxy-N-methyl-2-(triazol-1-yl)acetamide

C6H10N4O2 — CID 22270554

IUPACN-methoxy-N-methyl-2-(triazol-1-yl)acetamide
SMILESCON(C)C(=O)Cn1ccnn1
InChIInChI=1S/C6H10N4O2/c1-9(12-2)6(11)5-10-4-3-7-8-10/h3-4H,5H2,1-2H3
InChIKeyGPQDGDUKPKUOBZ-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.70
Rot. Bonds3

About N-methoxy-N-methyl-2-(triazol-1-yl)acetamide

N-methoxy-N-methyl-2-(triazol-1-yl)acetamide (PubChem CID 22270554) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-(triazol-1-yl)acetamide
PubChem CID22270554
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC NameN-methoxy-N-methyl-2-(triazol-1-yl)acetamide
SMILESCON(C)C(=O)Cn1ccnn1
InChIInChI=1S/C6H10N4O2/c1-9(12-2)6(11)5-10-4-3-7-8-10/h3-4H,5H2,1-2H3
InChIKeyGPQDGDUKPKUOBZ-UHFFFAOYSA-N
XLogP-0.70
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-(triazol-1-yl)acetamide?
The IUPAC name of N-methoxy-N-methyl-2-(triazol-1-yl)acetamide (CID 22270554) is N-methoxy-N-methyl-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-methoxy-N-methyl-2-(triazol-1-yl)acetamide is CON(C)C(=O)Cn1ccnn1.
What is the InChIKey of N-methoxy-N-methyl-2-(triazol-1-yl)acetamide?
The InChIKey is GPQDGDUKPKUOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-9(12-2)6(11)5-10-4-3-7-8-10/h3-4H,5H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-(triazol-1-yl)acetamide?
N-methoxy-N-methyl-2-(triazol-1-yl)acetamide has a molecular weight of 170.17 g/mol, XLogP of -0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 22270554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).