N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide

C15H21N5O — CID 106303592

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCc1nncn1CC
InChIInChI=1S/C15H21N5O/c1-3-9-16-13-8-6-5-7-12(13)15(21)17-10-14-19-18-11-20(14)4-2/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyWVBMWOIENCTCOY-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.05
Rot. Bonds7

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide (PubChem CID 106303592) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide
PubChem CID106303592
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCc1nncn1CC
InChIInChI=1S/C15H21N5O/c1-3-9-16-13-8-6-5-7-12(13)15(21)17-10-14-19-18-11-20(14)4-2/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyWVBMWOIENCTCOY-UHFFFAOYSA-N
XLogP2.05
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide 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-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 62181122
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide
CID 103706853
N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide
CID 62179332
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 131928417
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60516355
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114170961
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717599
2-amino-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]benzoic acid
CID 114170962
5-amino-2-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 106301570
6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 106304155
3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977
N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide (CID 106303592) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)NCc1nncn1CC.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide?
The InChIKey is WVBMWOIENCTCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-9-16-13-8-6-5-7-12(13)15(21)17-10-14-19-18-11-20(14)4-2/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,17,21).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide has a molecular weight of 287.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide is sourced from PubChem (CID 106303592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).