N-methyl-2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide

C15H21N5O — CID 104547974

IUPACN-methyl-2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCNCCc1ccccc1C(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C15H21N5O/c1-11-17-14(19-18-11)10-20(3)15(21)13-7-5-4-6-12(13)8-9-16-2/h4-7,16H,8-10H2,1-3H3,(H,17,18,19)
InChIKeyMZNINMUYNDQIBN-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.15
Rot. Bonds6

About N-methyl-2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide

N-methyl-2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 104547974) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-methyl-2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID104547974
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-methyl-2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCNCCc1ccccc1C(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C15H21N5O/c1-11-17-14(19-18-11)10-20(3)15(21)13-7-5-4-6-12(13)8-9-16-2/h4-7,16H,8-10H2,1-3H3,(H,17,18,19)
InChIKeyMZNINMUYNDQIBN-UHFFFAOYSA-N
XLogP1.15
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]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-chloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511177
2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]benzoic acid
CID 64512373
3-fluoro-N-methyl-2-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64519493
3-chloro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 107097940
N-methyl-N,2-bis[2-(methylamino)ethyl]benzamide
CID 104547950
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indole-3-carboxamide
CID 64512779
2-amino-3-fluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64518342
N-methyl-2-[2-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 104547733
N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-nitrobenzamide
CID 64510814
N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide
CID 104548124
N-(2-hydroxyethyl)-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 113425674
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 64510640

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of N-methyl-2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide (CID 104547974) is N-methyl-2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for N-methyl-2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide is CNCCc1ccccc1C(=O)N(C)Cc1n[nH]c(C)n1.
What is the InChIKey of N-methyl-2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is MZNINMUYNDQIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-17-14(19-18-11)10-20(3)15(21)13-7-5-4-6-12(13)8-9-16-2/h4-7,16H,8-10H2,1-3H3,(H,17,18,19).
What are the key properties of N-methyl-2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide?
N-methyl-2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 287.37 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 104547974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).