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

C6H10N4O — CID 57102573

IUPACN,N-dimethyl-2-(1,2,4-triazol-4-yl)acetamide
SMILESCN(C)C(=O)Cn1cnnc1
InChIInChI=1S/C6H10N4O/c1-9(2)6(11)3-10-4-7-8-5-10/h4-5H,3H2,1-2H3
InChIKeyPLGKTOMMMPOMHF-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.63
Rot. Bonds2

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

N,N-dimethyl-2-(1,2,4-triazol-4-yl)acetamide (PubChem CID 57102573) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,2,4-triazol-4-yl)acetamide
PubChem CID57102573
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN,N-dimethyl-2-(1,2,4-triazol-4-yl)acetamide
SMILESCN(C)C(=O)Cn1cnnc1
InChIInChI=1S/C6H10N4O/c1-9(2)6(11)3-10-4-7-8-5-10/h4-5H,3H2,1-2H3
InChIKeyPLGKTOMMMPOMHF-UHFFFAOYSA-N
XLogP-0.63
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-(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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(1,2,4-triazol-4-yl)acetamide (CID 57102573) is N,N-dimethyl-2-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(1,2,4-triazol-4-yl)acetamide is CN(C)C(=O)Cn1cnnc1.
What is the InChIKey of N,N-dimethyl-2-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is PLGKTOMMMPOMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-9(2)6(11)3-10-4-7-8-5-10/h4-5H,3H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1,2,4-triazol-4-yl)acetamide?
N,N-dimethyl-2-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 154.17 g/mol, XLogP of -0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 57102573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).