N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide

C11H11N5O2 — CID 62793864

IUPACN-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nc(N)n[nH]2)c1
InChIInChI=1S/C11H11N5O2/c1-6(17)7-3-2-4-8(5-7)13-10(18)9-14-11(12)16-15-9/h2-5H,1H3,(H,13,18)(H3,12,14,15,16)
InChIKeyMDPRCERUQKAXNB-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.84
Rot. Bonds3

About N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide

N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62793864) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
PubChem CID62793864
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC NameN-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nc(N)n[nH]2)c1
InChIInChI=1S/C11H11N5O2/c1-6(17)7-3-2-4-8(5-7)13-10(18)9-14-11(12)16-15-9/h2-5H,1H3,(H,13,18)(H3,12,14,15,16)
InChIKeyMDPRCERUQKAXNB-UHFFFAOYSA-N
XLogP0.84
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide 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

3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806832
3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62806279
3-amino-N-[3-(2-methylpropanoylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807912
3-amino-N-[3-(methylsulfamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806151
3-amino-N-[3-(2-methylpropoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808459
N-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 741077
3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808067
methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate
CID 62808434
3-amino-N-(1H-indazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807012
N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468819
3-amino-N-(3-chloro-4-cyanophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115331
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807917

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide (CID 62793864) is N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide is CC(=O)c1cccc(NC(=O)c2nc(N)n[nH]2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is MDPRCERUQKAXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-6(17)7-3-2-4-8(5-7)13-10(18)9-14-11(12)16-15-9/h2-5H,1H3,(H,13,18)(H3,12,14,15,16).
What are the key properties of N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide?
N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62793864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).