(5-acetamido-1H-1,2,4-triazol-3-yl) acetate

C6H8N4O3 — CID 174756463

IUPAC(5-acetamido-1H-1,2,4-triazol-3-yl) acetate
SMILESCC(=O)Nc1nc(OC(C)=O)n[nH]1
InChIInChI=1S/C6H8N4O3/c1-3(11)7-5-8-6(10-9-5)13-4(2)12/h1-2H3,(H2,7,8,9,10,11)
InChIKeyDENAPZFYVOINHQ-UHFFFAOYSA-N
MW184.16 g/mol
LogP-0.31
Rot. Bonds2

About (5-acetamido-1H-1,2,4-triazol-3-yl) acetate

(5-acetamido-1H-1,2,4-triazol-3-yl) acetate (PubChem CID 174756463) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is (5-acetamido-1H-1,2,4-triazol-3-yl) acetate.

Molecular Properties

Compound Name(5-acetamido-1H-1,2,4-triazol-3-yl) acetate
PubChem CID174756463
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Name(5-acetamido-1H-1,2,4-triazol-3-yl) acetate
SMILESCC(=O)Nc1nc(OC(C)=O)n[nH]1
InChIInChI=1S/C6H8N4O3/c1-3(11)7-5-8-6(10-9-5)13-4(2)12/h1-2H3,(H2,7,8,9,10,11)
InChIKeyDENAPZFYVOINHQ-UHFFFAOYSA-N
XLogP-0.31
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-acetamido-1H-1,2,4-triazol-3-yl) acetate?
The IUPAC name of (5-acetamido-1H-1,2,4-triazol-3-yl) acetate (CID 174756463) is (5-acetamido-1H-1,2,4-triazol-3-yl) acetate.
What is the SMILES notation for (5-acetamido-1H-1,2,4-triazol-3-yl) acetate?
The canonical SMILES for (5-acetamido-1H-1,2,4-triazol-3-yl) acetate is CC(=O)Nc1nc(OC(C)=O)n[nH]1.
What is the InChIKey of (5-acetamido-1H-1,2,4-triazol-3-yl) acetate?
The InChIKey is DENAPZFYVOINHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-3(11)7-5-8-6(10-9-5)13-4(2)12/h1-2H3,(H2,7,8,9,10,11).
What are the key properties of (5-acetamido-1H-1,2,4-triazol-3-yl) acetate?
(5-acetamido-1H-1,2,4-triazol-3-yl) acetate has a molecular weight of 184.16 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetamido-1H-1,2,4-triazol-3-yl) acetate is sourced from PubChem (CID 174756463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).