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

C12H14N4O2 — CID 56781983

IUPAC2-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1n[nH]c(C)n1
InChIInChI=1S/C12H14N4O2/c1-8-14-11(16-15-8)7-13-12(17)9-5-3-4-6-10(9)18-2/h3-6H,7H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyAXUXRLNSEGWCPL-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.05
Rot. Bonds4

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

2-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 56781983) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID56781983
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1n[nH]c(C)n1
InChIInChI=1S/C12H14N4O2/c1-8-14-11(16-15-8)7-13-12(17)9-5-3-4-6-10(9)18-2/h3-6H,7H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyAXUXRLNSEGWCPL-UHFFFAOYSA-N
XLogP1.05
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-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

Methyl 2-[[5-[[(2-methoxybenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 2159405
2-methoxy-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
CID 32460717
[5-(Benzylamino)-3-methyl-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone
CID 123368685
2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 156565671
2-(difluoromethoxy)-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 156574608
5-cyano-2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 156574669
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoro-2-methoxybenzamide
CID 45824154
5-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxybenzamide
CID 45824163
2-[(2-methylprop-2-en-1-yl)oxy]-N-[3-(1H-tetrazol-5-yl)propyl]benzamide
CID 46993211
2-[(2-methylprop-2-en-1-yl)oxy]-N-[2-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
CID 46995930
4-chloro-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 47451950
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 53558879

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 2-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide (CID 56781983) is 2-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide is COc1ccccc1C(=O)NCc1n[nH]c(C)n1.
What is the InChIKey of 2-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is AXUXRLNSEGWCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-14-11(16-15-8)7-13-12(17)9-5-3-4-6-10(9)18-2/h3-6H,7H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of 2-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide?
2-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 246.27 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 56781983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).