2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide

C5H7ClN4O2 — CID 83102704

IUPAC2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)CCl)n1
InChIInChI=1S/C5H7ClN4O2/c1-12-5-8-4(9-10-5)7-3(11)2-6/h2H2,1H3,(H2,7,8,9,10,11)
InChIKeyUGKNVEKVTVXUCH-UHFFFAOYSA-N
MW190.59 g/mol
LogP-0.01
Rot. Bonds3

About 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide

2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 83102704) has the molecular formula C5H7ClN4O2 and a molecular weight of 190.59 g/mol. Its IUPAC name is 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID83102704
Molecular FormulaC5H7ClN4O2
Molecular Weight190.59 g/mol
Exact Mass190.03
IUPAC Name2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)CCl)n1
InChIInChI=1S/C5H7ClN4O2/c1-12-5-8-4(9-10-5)7-3(11)2-6/h2H2,1H3,(H2,7,8,9,10,11)
InChIKeyUGKNVEKVTVXUCH-UHFFFAOYSA-N
XLogP-0.01
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.59
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (CID 83102704) is 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is COc1n[nH]c(NC(=O)CCl)n1.
What is the InChIKey of 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is UGKNVEKVTVXUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4O2/c1-12-5-8-4(9-10-5)7-3(11)2-6/h2H2,1H3,(H2,7,8,9,10,11).
What are the key properties of 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 190.59 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 83102704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).