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

C5H8N4O — CID 20558131

IUPACN-methyl-2-(1,2,4-triazol-4-yl)acetamide
SMILESCNC(=O)Cn1cnnc1
InChIInChI=1S/C5H8N4O/c1-6-5(10)2-9-3-7-8-4-9/h3-4H,2H2,1H3,(H,6,10)
InChIKeyXLMOYSAXYHPGMF-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.98
Rot. Bonds2

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

N-methyl-2-(1,2,4-triazol-4-yl)acetamide (PubChem CID 20558131) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is N-methyl-2-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(1,2,4-triazol-4-yl)acetamide
PubChem CID20558131
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC NameN-methyl-2-(1,2,4-triazol-4-yl)acetamide
SMILESCNC(=O)Cn1cnnc1
InChIInChI=1S/C5H8N4O/c1-6-5(10)2-9-3-7-8-4-9/h3-4H,2H2,1H3,(H,6,10)
InChIKeyXLMOYSAXYHPGMF-UHFFFAOYSA-N
XLogP-0.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-1H-1,2,4-triazol-1-yl)-N-methylacetamide
CID 54595598
N-(2-methyl-1,2,4-triazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 80717202
2-(1H-1,2,4-triazol-1-yl)acetamide
CID 2764817
2-(1,2,4-Triazol-4-yl)acetamide
CID 19434537
1,1-Dimethyl-3-[2-(1,2,4-triazol-4-yl)ethyl]urea
CID 20501564
N-Methyl-2-(1H-tetrazol-1-yl)acetamide
CID 23260881
1-Methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]urea
CID 23548389
1-(piperazin-1-yl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
CID 24693701
2-(1,2,4-Triazol-4-yl)ethylurea
CID 53774485
2-amino-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
CID 53892337
methyl[2-(4H-1,2,4-triazol-4-yl)ethyl]amine
CID 54122270
N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
CID 54210147

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-methyl-2-(1,2,4-triazol-4-yl)acetamide (CID 20558131) is N-methyl-2-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-methyl-2-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-methyl-2-(1,2,4-triazol-4-yl)acetamide is CNC(=O)Cn1cnnc1.
What is the InChIKey of N-methyl-2-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is XLMOYSAXYHPGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-6-5(10)2-9-3-7-8-4-9/h3-4H,2H2,1H3,(H,6,10).
What are the key properties of N-methyl-2-(1,2,4-triazol-4-yl)acetamide?
N-methyl-2-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 140.15 g/mol, XLogP of -0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 20558131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).