2-methoxy-N-(1H-1,2,4-triazol-5-yl)acetamide

C5H8N4O2 — CID 60740782

IUPAC2-methoxy-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCOCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H8N4O2/c1-11-2-4(10)8-5-6-3-7-9-5/h3H,2H2,1H3,(H2,6,7,8,9,10)
InChIKeyAFLFPTSRJUTYTI-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.61
Rot. Bonds3

About 2-methoxy-N-(1H-1,2,4-triazol-5-yl)acetamide

2-methoxy-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 60740782) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-methoxy-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID60740782
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2-methoxy-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCOCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H8N4O2/c1-11-2-4(10)8-5-6-3-7-9-5/h3H,2H2,1H3,(H2,6,7,8,9,10)
InChIKeyAFLFPTSRJUTYTI-UHFFFAOYSA-N
XLogP-0.61
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-methoxy-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 60740782) is 2-methoxy-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-methoxy-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-methoxy-N-(1H-1,2,4-triazol-5-yl)acetamide is COCC(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-methoxy-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is AFLFPTSRJUTYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-11-2-4(10)8-5-6-3-7-9-5/h3H,2H2,1H3,(H2,6,7,8,9,10).
What are the key properties of 2-methoxy-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-methoxy-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 156.15 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 60740782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).