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

C4H6N4O — CID 21365

IUPACN-(1,2,4-triazol-4-yl)acetamide
SMILESCC(=O)Nn1cnnc1
InChIInChI=1S/C4H6N4O/c1-4(9)7-8-2-5-6-3-8/h2-3H,1H3,(H,7,9)
InChIKeyYCLCRQTUXHAOQR-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.63
Rot. Bonds1

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

N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 21365) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,2,4-triazol-4-yl)acetamide
PubChem CID21365
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC NameN-(1,2,4-triazol-4-yl)acetamide
SMILESCC(=O)Nn1cnnc1
InChIInChI=1S/C4H6N4O/c1-4(9)7-8-2-5-6-3-8/h2-3H,1H3,(H,7,9)
InChIKeyYCLCRQTUXHAOQR-UHFFFAOYSA-N
XLogP-0.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-(1,2,4-triazol-4-yl)acetamide (CID 21365) is N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-(1,2,4-triazol-4-yl)acetamide is CC(=O)Nn1cnnc1.
What is the InChIKey of N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is YCLCRQTUXHAOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c1-4(9)7-8-2-5-6-3-8/h2-3H,1H3,(H,7,9).
What are the key properties of N-(1,2,4-triazol-4-yl)acetamide?
N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 126.12 g/mol, XLogP of -0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 21365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).