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

C16H15N5O2 — CID 930814

IUPACN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H15N5O2/c1-23-13-9-7-11(8-10-13)14(22)18-16-19-15(17)21(20-16)12-5-3-2-4-6-12/h2-10H,1H3,(H3,17,18,19,20,22)
InChIKeyUFHWKUIMNDFMMZ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.11
Rot. Bonds4

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

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide (PubChem CID 930814) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide
PubChem CID930814
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H15N5O2/c1-23-13-9-7-11(8-10-13)14(22)18-16-19-15(17)21(20-16)12-5-3-2-4-6-12/h2-10H,1H3,(H3,17,18,19,20,22)
InChIKeyUFHWKUIMNDFMMZ-UHFFFAOYSA-N
XLogP2.11
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-methoxybenzamide?
The IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide (CID 930814) is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide?
The canonical SMILES for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide is COc1ccc(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-methoxybenzamide?
The InChIKey is UFHWKUIMNDFMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-23-13-9-7-11(8-10-13)14(22)18-16-19-15(17)21(20-16)12-5-3-2-4-6-12/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-methoxybenzamide?
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide has a molecular weight of 309.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide is sourced from PubChem (CID 930814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).