2-benzyl-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide

C20H20N4O — CID 71932413

IUPAC2-benzyl-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESO=C(NCc1nncn1C1CC1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C20H20N4O/c25-20(21-13-19-23-22-14-24(19)17-10-11-17)18-9-5-4-8-16(18)12-15-6-2-1-3-7-15/h1-9,14,17H,10-13H2,(H,21,25)
InChIKeyRULGPRQBOCLODR-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.13
Rot. Bonds6

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

2-benzyl-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 71932413) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-benzyl-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-benzyl-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID71932413
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-benzyl-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESO=C(NCc1nncn1C1CC1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C20H20N4O/c25-20(21-13-19-23-22-14-24(19)17-10-11-17)18-9-5-4-8-16(18)12-15-6-2-1-3-7-15/h1-9,14,17H,10-13H2,(H,21,25)
InChIKeyRULGPRQBOCLODR-UHFFFAOYSA-N
XLogP3.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 2-benzyl-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 71932413) is 2-benzyl-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-benzyl-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-benzyl-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide is O=C(NCc1nncn1C1CC1)c1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is RULGPRQBOCLODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(21-13-19-23-22-14-24(19)17-10-11-17)18-9-5-4-8-16(18)12-15-6-2-1-3-7-15/h1-9,14,17H,10-13H2,(H,21,25).
What are the key properties of 2-benzyl-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide?
2-benzyl-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 332.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 71932413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).