3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide

C17H16N4O — CID 17487156

IUPAC3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C17H16N4O/c22-15(12-11-13-7-3-1-4-8-13)18-17-19-16(20-21-17)14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,18,19,20,21,22)
InChIKeyIAXHPEHCYOLQQC-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.04
Rot. Bonds5

About 3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide

3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 17487156) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID17487156
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C17H16N4O/c22-15(12-11-13-7-3-1-4-8-13)18-17-19-16(20-21-17)14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,18,19,20,21,22)
InChIKeyIAXHPEHCYOLQQC-UHFFFAOYSA-N
XLogP3.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-Benzamido-5-phenyl-1,2,4-triazole
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N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide
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N-(3-phenyl-1H-1,2,4-triazol-5-yl)propanamide
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4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 66674351
N-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
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CID 17429448
4-chloro-N-(3-phenyl-1H-1,2,4-triazol-5-yl)benzamide
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CID 20974734

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide (CID 17487156) is 3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide is O=C(CCc1ccccc1)Nc1n[nH]c(-c2ccccc2)n1.
What is the InChIKey of 3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is IAXHPEHCYOLQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-15(12-11-13-7-3-1-4-8-13)18-17-19-16(20-21-17)14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,18,19,20,21,22).
What are the key properties of 3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide?
3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 292.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 17487156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).