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

C16H15N5O — CID 930187

IUPACN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H15N5O/c1-11-7-9-12(10-8-11)14(22)18-16-19-15(17)21(20-16)13-5-3-2-4-6-13/h2-10H,1H3,(H3,17,18,19,20,22)
InChIKeySQOHIFKFAZZXOL-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.41
Rot. Bonds3

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

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide (PubChem CID 930187) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide
PubChem CID930187
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H15N5O/c1-11-7-9-12(10-8-11)14(22)18-16-19-15(17)21(20-16)13-5-3-2-4-6-13/h2-10H,1H3,(H3,17,18,19,20,22)
InChIKeySQOHIFKFAZZXOL-UHFFFAOYSA-N
XLogP2.41
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.41
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)-4-methylbenzamide?
The IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide (CID 930187) is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide.
What is the SMILES notation for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide?
The canonical SMILES for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide?
The InChIKey is SQOHIFKFAZZXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-11-7-9-12(10-8-11)14(22)18-16-19-15(17)21(20-16)13-5-3-2-4-6-13/h2-10H,1H3,(H3,17,18,19,20,22).
What are the key properties of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide?
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide has a molecular weight of 293.33 g/mol, XLogP of 2.41, 3 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)-4-methylbenzamide is sourced from PubChem (CID 930187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).