N-(1-acetyl-1,2,4-triazol-3-yl)acetamide

C6H8N4O2 — CID 5332222

IUPACN-(1-acetyl-1,2,4-triazol-3-yl)acetamide
SMILESCC(=O)Nc1ncn(C(C)=O)n1
InChIInChI=1S/C6H8N4O2/c1-4(11)8-6-7-3-10(9-6)5(2)12/h3H,1-2H3,(H,8,9,11)
InChIKeyZHTHETMODYRKCQ-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.10
Rot. Bonds1

About N-(1-acetyl-1,2,4-triazol-3-yl)acetamide

N-(1-acetyl-1,2,4-triazol-3-yl)acetamide (PubChem CID 5332222) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is N-(1-acetyl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-acetyl-1,2,4-triazol-3-yl)acetamide
PubChem CID5332222
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC NameN-(1-acetyl-1,2,4-triazol-3-yl)acetamide
SMILESCC(=O)Nc1ncn(C(C)=O)n1
InChIInChI=1S/C6H8N4O2/c1-4(11)8-6-7-3-10(9-6)5(2)12/h3H,1-2H3,(H,8,9,11)
InChIKeyZHTHETMODYRKCQ-UHFFFAOYSA-N
XLogP-0.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of N-(1-acetyl-1,2,4-triazol-3-yl)acetamide (CID 5332222) is N-(1-acetyl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for N-(1-acetyl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for N-(1-acetyl-1,2,4-triazol-3-yl)acetamide is CC(=O)Nc1ncn(C(C)=O)n1.
What is the InChIKey of N-(1-acetyl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is ZHTHETMODYRKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-4(11)8-6-7-3-10(9-6)5(2)12/h3H,1-2H3,(H,8,9,11).
What are the key properties of N-(1-acetyl-1,2,4-triazol-3-yl)acetamide?
N-(1-acetyl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 168.16 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 5332222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).