N-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetamide

C11H14N5O+ — CID 122394997

IUPACN-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetamide
SMILESCC(=O)Nc1nn(-c2ccccc2)c(N)[n+]1C
InChIInChI=1S/C11H13N5O/c1-8(17)13-11-14-16(10(12)15(11)2)9-6-4-3-5-7-9/h3-7,12H,1-2H3,(H,13,14,17)/p+1
InChIKeyWSFKNBOJHOFNOH-UHFFFAOYSA-O
MW232.27 g/mol
LogP0.24
Rot. Bonds2

About N-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetamide

N-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetamide (PubChem CID 122394997) has the molecular formula C11H14N5O+ and a molecular weight of 232.27 g/mol. Its IUPAC name is N-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetamide
PubChem CID122394997
Molecular FormulaC11H14N5O+
Molecular Weight232.27 g/mol
Exact Mass232.12
IUPAC NameN-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetamide
SMILESCC(=O)Nc1nn(-c2ccccc2)c(N)[n+]1C
InChIInChI=1S/C11H13N5O/c1-8(17)13-11-14-16(10(12)15(11)2)9-6-4-3-5-7-9/h3-7,12H,1-2H3,(H,13,14,17)/p+1
InChIKeyWSFKNBOJHOFNOH-UHFFFAOYSA-O
XLogP0.24
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-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-(2-phenylpyrazol-3-yl)acetamide
CID 12678799
N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide
CID 134472153
4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide
CID 16739136
N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide
CID 50984671
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid
CID 50887848
4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid
CID 82393477
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide
CID 151938609
(5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate
CID 155801750
3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide
CID 51999466
(3,5-diamino-2-phenyl-[1,2,4]triazolo[3,4-c][1,2,4]triazin-4-ium-6-yl)-phenylmethanone
CID 13116213

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetamide?
The IUPAC name of N-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetamide (CID 122394997) is N-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetamide.
What is the SMILES notation for N-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetamide?
The canonical SMILES for N-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetamide is CC(=O)Nc1nn(-c2ccccc2)c(N)[n+]1C.
What is the InChIKey of N-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetamide?
The InChIKey is WSFKNBOJHOFNOH-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13N5O/c1-8(17)13-11-14-16(10(12)15(11)2)9-6-4-3-5-7-9/h3-7,12H,1-2H3,(H,13,14,17)/p+1.
What are the key properties of N-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetamide?
N-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetamide has a molecular weight of 232.27 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetamide is sourced from PubChem (CID 122394997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).