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

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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).