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

C5H8N4O — CID 138373733

IUPACN-(3-methyl-1,2,4-triazol-4-yl)acetamide
SMILESCC(=O)Nn1cnnc1C
InChIInChI=1S/C5H8N4O/c1-4-7-6-3-9(4)8-5(2)10/h3H,1-2H3,(H,8,10)
InChIKeyIAFNICFTLBELNZ-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.32
Rot. Bonds1

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

N-(3-methyl-1,2,4-triazol-4-yl)acetamide (PubChem CID 138373733) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-triazol-4-yl)acetamide
PubChem CID138373733
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC NameN-(3-methyl-1,2,4-triazol-4-yl)acetamide
SMILESCC(=O)Nn1cnnc1C
InChIInChI=1S/C5H8N4O/c1-4-7-6-3-9(4)8-5(2)10/h3H,1-2H3,(H,8,10)
InChIKeyIAFNICFTLBELNZ-UHFFFAOYSA-N
XLogP-0.32
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 ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethyl-1,2,4-triazol-4-yl)propanamide
CID 657448
2-(1H-1,2,4-triazol-3-yl)acetamide
CID 20107017
2-Amino-N-[3-(aminomethyl)-4H-1,2,4-triazol-4-YL]acetamide
CID 52903764
1-Methyl-1H-1,2,4-triazole-3-carbohydrazide
CID 142359614
ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate
CID 387574
N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)acetamide
CID 676440
N-methyl-2-(4H-1,2,4-triazol-3-yl)acetamide
CID 1263155
1-Methyl-1H-1,2,4-triazole-5-carbohydrazide
CID 13568527
N-(3-sulfanylmethyl-4h-1,2,4-triazol-4-yl)-2-sulfanylacetamide
CID 138373751
N,3-dimethyl-1,2,4-triazol-1-amine
CID 22367688
2-(2-Methyl-1,2,4-triazol-3-yl)acetamide
CID 53784779
N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)acetamide
CID 54536490

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-(3-methyl-1,2,4-triazol-4-yl)acetamide (CID 138373733) is N-(3-methyl-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-(3-methyl-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-(3-methyl-1,2,4-triazol-4-yl)acetamide is CC(=O)Nn1cnnc1C.
What is the InChIKey of N-(3-methyl-1,2,4-triazol-4-yl)acetamide?
The InChIKey is IAFNICFTLBELNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-4-7-6-3-9(4)8-5(2)10/h3H,1-2H3,(H,8,10).
What are the key properties of N-(3-methyl-1,2,4-triazol-4-yl)acetamide?
N-(3-methyl-1,2,4-triazol-4-yl)acetamide has a molecular weight of 140.15 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 138373733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).