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

C5H8N4O — CID 119096873

IUPACN-(2-methyl-1,2,4-triazol-3-yl)acetamide
SMILESCC(=O)Nc1ncnn1C
InChIInChI=1S/C5H8N4O/c1-4(10)8-5-6-3-7-9(5)2/h3H,1-2H3,(H,6,7,8,10)
InChIKeyWYPITEHAJFPRMI-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.23
Rot. Bonds1

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

N-(2-methyl-1,2,4-triazol-3-yl)acetamide (PubChem CID 119096873) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is N-(2-methyl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,2,4-triazol-3-yl)acetamide
PubChem CID119096873
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC NameN-(2-methyl-1,2,4-triazol-3-yl)acetamide
SMILESCC(=O)Nc1ncnn1C
InChIInChI=1S/C5H8N4O/c1-4(10)8-5-6-3-7-9(5)2/h3H,1-2H3,(H,6,7,8,10)
InChIKeyWYPITEHAJFPRMI-UHFFFAOYSA-N
XLogP-0.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 130667068
1-(3-methylbut-2-enyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 99836088
1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 130652678
4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80709266
N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103800959
4-hydroxy-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 113357521
4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80710118
1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 75435258
4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 80710284
2-methyl-3-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 66606479
3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 103769476
2-(2-methoxyphenyl)-N-(2-methyl-1,2,4-triazol-3-yl)acetamide
CID 71917325

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)acetamide (CID 119096873) is N-(2-methyl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for N-(2-methyl-1,2,4-triazol-3-yl)acetamide is CC(=O)Nc1ncnn1C.
What is the InChIKey of N-(2-methyl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is WYPITEHAJFPRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-4(10)8-5-6-3-7-9(5)2/h3H,1-2H3,(H,6,7,8,10).
What are the key properties of N-(2-methyl-1,2,4-triazol-3-yl)acetamide?
N-(2-methyl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 140.15 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 119096873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).