N-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide

C16H14N4O2 — CID 2988655

IUPACN-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C16H14N4O2/c1-22-14-10-6-5-9-13(14)18-16(21)15-17-11-20(19-15)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,21)
InChIKeyPUZNHODROJMGJF-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.53
Rot. Bonds4

About N-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide

N-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 2988655) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID2988655
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C16H14N4O2/c1-22-14-10-6-5-9-13(14)18-16(21)15-17-11-20(19-15)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,21)
InChIKeyPUZNHODROJMGJF-UHFFFAOYSA-N
XLogP2.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 2988655) is N-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is COc1ccccc1NC(=O)c1ncn(-c2ccccc2)n1.
What is the InChIKey of N-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is PUZNHODROJMGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-14-10-6-5-9-13(14)18-16(21)15-17-11-20(19-15)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,21).
What are the key properties of N-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
N-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 2988655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).