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

C4H6N4O — CID 19434537

IUPAC2-(1,2,4-triazol-4-yl)acetamide
SMILESNC(=O)Cn1cnnc1
InChIInChI=1S/C4H6N4O/c5-4(9)1-8-2-6-7-3-8/h2-3H,1H2,(H2,5,9)
InChIKeyDZNIFCMWIDMVSZ-UHFFFAOYSA-N
MW126.12 g/mol
LogP-1.24
Rot. Bonds2

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

2-(1,2,4-triazol-4-yl)acetamide (PubChem CID 19434537) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 2-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,2,4-triazol-4-yl)acetamide
PubChem CID19434537
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name2-(1,2,4-triazol-4-yl)acetamide
SMILESNC(=O)Cn1cnnc1
InChIInChI=1S/C4H6N4O/c5-4(9)1-8-2-6-7-3-8/h2-3H,1H2,(H2,5,9)
InChIKeyDZNIFCMWIDMVSZ-UHFFFAOYSA-N
XLogP-1.24
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1h-Tetrazol-1-yl)acetamide
CID 285124
2-(1H-1,2,4-triazol-1-yl)acetohydrazide
CID 2766534
2-(3-amino-1H-1,2,4-triazol-1-yl)-N-methylacetamide
CID 54595598
2-(1H-1,2,4-triazol-1-yl)propanamide
CID 2768672
2-(1H-1,2,4-triazol-1-yl)acetamide
CID 2764817
2-(3,5-Dichloro-1,2,4-triazol-1-yl)acetamide
CID 9420899
N-methyl-2-(1,2,4-triazol-4-yl)acetamide
CID 20558131
2-(1,2,4-Triazol-4-yl)ethylurea
CID 53774485
2-amino-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
CID 53892337
N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
CID 54210147
N,N-dimethyl-2-(1,2,4-triazol-4-yl)acetamide
CID 57102573
N-methyl-2-(1,2,4-triazol-1-yl)acetamide
CID 60718173

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-(1,2,4-triazol-4-yl)acetamide (CID 19434537) is 2-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-(1,2,4-triazol-4-yl)acetamide is NC(=O)Cn1cnnc1.
What is the InChIKey of 2-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is DZNIFCMWIDMVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c5-4(9)1-8-2-6-7-3-8/h2-3H,1H2,(H2,5,9).
What are the key properties of 2-(1,2,4-triazol-4-yl)acetamide?
2-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 126.12 g/mol, XLogP of -1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 19434537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).