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

C17H16N4O2 — CID 27446861

IUPAC3-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2n[nH]c(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C17H16N4O2/c1-11-6-8-12(9-7-11)15-18-17(21-20-15)19-16(22)13-4-3-5-14(10-13)23-2/h3-10H,1-2H3,(H2,18,19,20,21,22)
InChIKeyFMNHZDRULQJGTB-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.04
Rot. Bonds4

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

3-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 27446861) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID27446861
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2n[nH]c(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C17H16N4O2/c1-11-6-8-12(9-7-11)15-18-17(21-20-15)19-16(22)13-4-3-5-14(10-13)23-2/h3-10H,1-2H3,(H2,18,19,20,21,22)
InChIKeyFMNHZDRULQJGTB-UHFFFAOYSA-N
XLogP3.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 3-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide (CID 27446861) is 3-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide is COc1cccc(C(=O)Nc2n[nH]c(-c3ccc(C)cc3)n2)c1.
What is the InChIKey of 3-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is FMNHZDRULQJGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-6-8-12(9-7-11)15-18-17(21-20-15)19-16(22)13-4-3-5-14(10-13)23-2/h3-10H,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 3-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide?
3-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 27446861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).