2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide

C6H11N5O2 — CID 112673660

IUPAC2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide
SMILESCn1ncnc1CNOCC(N)=O
InChIInChI=1S/C6H11N5O2/c1-11-6(8-4-9-11)2-10-13-3-5(7)12/h4,10H,2-3H2,1H3,(H2,7,12)
InChIKeyNBIARKWBNSYIEQ-UHFFFAOYSA-N
MW185.19 g/mol
LogP-1.68
Rot. Bonds5

About 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide

2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide (PubChem CID 112673660) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide
PubChem CID112673660
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide
SMILESCn1ncnc1CNOCC(N)=O
InChIInChI=1S/C6H11N5O2/c1-11-6(8-4-9-11)2-10-13-3-5(7)12/h4,10H,2-3H2,1H3,(H2,7,12)
InChIKeyNBIARKWBNSYIEQ-UHFFFAOYSA-N
XLogP-1.68
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide
CID 112673930
N-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 82723136
2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate
CID 83211857
2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide
CID 112672694
1-(2-aminoethoxy)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-one
CID 116591027
2-[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]ethoxy]acetamide
CID 106237724
(2-methyl-1,2,4-triazol-3-yl)methyl 4-methylbenzoate
CID 71849931
(2S)-3-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 79249141
3-amino-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-one
CID 116551792
3-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 79249791
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 126814185
2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide
CID 112673626

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide?
The IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide (CID 112673660) is 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide is Cn1ncnc1CNOCC(N)=O.
What is the InChIKey of 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide?
The InChIKey is NBIARKWBNSYIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-11-6(8-4-9-11)2-10-13-3-5(7)12/h4,10H,2-3H2,1H3,(H2,7,12).
What are the key properties of 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide?
2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide has a molecular weight of 185.19 g/mol, XLogP of -1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide is sourced from PubChem (CID 112673660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).