N,N-dimethyl-4-[3-(1,2,4-triazol-4-yl)phenyl]benzamide

C17H16N4O — CID 72923572

IUPACN,N-dimethyl-4-[3-(1,2,4-triazol-4-yl)phenyl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cccc(-n3cnnc3)c2)cc1
InChIInChI=1S/C17H16N4O/c1-20(2)17(22)14-8-6-13(7-9-14)15-4-3-5-16(10-15)21-11-18-19-12-21/h3-12H,1-2H3
InChIKeyFAOZJPKHISYXBV-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.64
Rot. Bonds3

About N,N-dimethyl-4-[3-(1,2,4-triazol-4-yl)phenyl]benzamide

N,N-dimethyl-4-[3-(1,2,4-triazol-4-yl)phenyl]benzamide (PubChem CID 72923572) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(1,2,4-triazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(1,2,4-triazol-4-yl)phenyl]benzamide
PubChem CID72923572
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN,N-dimethyl-4-[3-(1,2,4-triazol-4-yl)phenyl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cccc(-n3cnnc3)c2)cc1
InChIInChI=1S/C17H16N4O/c1-20(2)17(22)14-8-6-13(7-9-14)15-4-3-5-16(10-15)21-11-18-19-12-21/h3-12H,1-2H3
InChIKeyFAOZJPKHISYXBV-UHFFFAOYSA-N
XLogP2.64
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-3-methylpiperidin-1-yl)-[4-[3-(1,2,4-triazol-4-yl)phenyl]phenyl]methanone
CID 122567025
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CID 121373381
4-(4-hydroxyphenyl)-N,N-dimethylbenzamide
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N,N-dimethyl-4-pyrrol-1-ylbenzamide
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4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide
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CID 168516849
4-[4-(dimethylamino)phenyl]-N,N-dimethylbenzamide
CID 110487766
N,N-dimethyl-4-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)benzamide
CID 157018801
4-[4-(dimethylcarbamoyl)phenyl]-2-fluorobenzoic acid
CID 53227808
3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
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CID 168525452

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(1,2,4-triazol-4-yl)phenyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[3-(1,2,4-triazol-4-yl)phenyl]benzamide (CID 72923572) is N,N-dimethyl-4-[3-(1,2,4-triazol-4-yl)phenyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[3-(1,2,4-triazol-4-yl)phenyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[3-(1,2,4-triazol-4-yl)phenyl]benzamide is CN(C)C(=O)c1ccc(-c2cccc(-n3cnnc3)c2)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-(1,2,4-triazol-4-yl)phenyl]benzamide?
The InChIKey is FAOZJPKHISYXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-20(2)17(22)14-8-6-13(7-9-14)15-4-3-5-16(10-15)21-11-18-19-12-21/h3-12H,1-2H3.
What are the key properties of N,N-dimethyl-4-[3-(1,2,4-triazol-4-yl)phenyl]benzamide?
N,N-dimethyl-4-[3-(1,2,4-triazol-4-yl)phenyl]benzamide has a molecular weight of 292.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(1,2,4-triazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 72923572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).