2-acetyl-1,2,4-triazole-3-carboxamide

C5H6N4O2 — CID 21481196

IUPAC2-acetyl-1,2,4-triazole-3-carboxamide
SMILESCC(=O)n1ncnc1C(N)=O
InChIInChI=1S/C5H6N4O2/c1-3(10)9-5(4(6)11)7-2-8-9/h2H,1H3,(H2,6,11)
InChIKeyPIZRFGODGPBJMC-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.96
Rot. Bonds1

About 2-acetyl-1,2,4-triazole-3-carboxamide

2-acetyl-1,2,4-triazole-3-carboxamide (PubChem CID 21481196) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-acetyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-acetyl-1,2,4-triazole-3-carboxamide
PubChem CID21481196
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name2-acetyl-1,2,4-triazole-3-carboxamide
SMILESCC(=O)n1ncnc1C(N)=O
InChIInChI=1S/C5H6N4O2/c1-3(10)9-5(4(6)11)7-2-8-9/h2H,1H3,(H2,6,11)
InChIKeyPIZRFGODGPBJMC-UHFFFAOYSA-N
XLogP-0.96
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-acetyl-1,2,4-triazole-3-carboxamide (CID 21481196) is 2-acetyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-acetyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-acetyl-1,2,4-triazole-3-carboxamide is CC(=O)n1ncnc1C(N)=O.
What is the InChIKey of 2-acetyl-1,2,4-triazole-3-carboxamide?
The InChIKey is PIZRFGODGPBJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c1-3(10)9-5(4(6)11)7-2-8-9/h2H,1H3,(H2,6,11).
What are the key properties of 2-acetyl-1,2,4-triazole-3-carboxamide?
2-acetyl-1,2,4-triazole-3-carboxamide has a molecular weight of 154.13 g/mol, XLogP of -0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 21481196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).