N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-phenylpropanamide

C17H17N5O — CID 661821

IUPACN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-phenylpropanamide
SMILESNc1nc(NC(=O)CCc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H17N5O/c18-16-20-17(21-22(16)14-9-5-2-6-10-14)19-15(23)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H3,18,19,20,21,23)
InChIKeyAZPJJBKEYWYWRP-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.42
Rot. Bonds5

About N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-phenylpropanamide

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-phenylpropanamide (PubChem CID 661821) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-phenylpropanamide
PubChem CID661821
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-phenylpropanamide
SMILESNc1nc(NC(=O)CCc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H17N5O/c18-16-20-17(21-22(16)14-9-5-2-6-10-14)19-15(23)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H3,18,19,20,21,23)
InChIKeyAZPJJBKEYWYWRP-UHFFFAOYSA-N
XLogP2.42
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-phenylpropanamide?
The IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-phenylpropanamide (CID 661821) is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-phenylpropanamide?
The canonical SMILES for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-phenylpropanamide is Nc1nc(NC(=O)CCc2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-phenylpropanamide?
The InChIKey is AZPJJBKEYWYWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c18-16-20-17(21-22(16)14-9-5-2-6-10-14)19-15(23)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H3,18,19,20,21,23).
What are the key properties of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-phenylpropanamide?
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-phenylpropanamide has a molecular weight of 307.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 661821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).