2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide

C9H12N6O2 — CID 166318319

IUPAC2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
SMILESCc1nc(CC(=O)NCc2cc(=O)[nH][nH]2)n[nH]1
InChIInChI=1S/C9H12N6O2/c1-5-11-7(14-12-5)3-8(16)10-4-6-2-9(17)15-13-6/h2H,3-4H2,1H3,(H,10,16)(H,11,12,14)(H2,13,15,17)
InChIKeyZITHSLOMJUWJAL-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.01
Rot. Bonds4

About 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide

2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide (PubChem CID 166318319) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
PubChem CID166318319
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
SMILESCc1nc(CC(=O)NCc2cc(=O)[nH][nH]2)n[nH]1
InChIInChI=1S/C9H12N6O2/c1-5-11-7(14-12-5)3-8(16)10-4-6-2-9(17)15-13-6/h2H,3-4H2,1H3,(H,10,16)(H,11,12,14)(H2,13,15,17)
InChIKeyZITHSLOMJUWJAL-UHFFFAOYSA-N
XLogP-1.01
TPSA119.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]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

2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
CID 112536479
3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide
CID 112536415
potassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate
CID 18739525
2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide
CID 75388312
5-ethyl-4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
CID 56781987
3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide
CID 112536424
5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-oxopentanoic acid
CID 58703585
2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53168923
1-[(4-chloro-2,5-difluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea
CID 146140533
3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 45206269
2,3,4-trifluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzamide
CID 84582600
1-[(2-bromo-4-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea
CID 138022624

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide (CID 166318319) is 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide is Cc1nc(CC(=O)NCc2cc(=O)[nH][nH]2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide?
The InChIKey is ZITHSLOMJUWJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-5-11-7(14-12-5)3-8(16)10-4-6-2-9(17)15-13-6/h2H,3-4H2,1H3,(H,10,16)(H,11,12,14)(H2,13,15,17).
What are the key properties of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide?
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide has a molecular weight of 236.23 g/mol, XLogP of -1.01, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 166318319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).