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

C22H18N4O2 — CID 142724071

IUPAC1-(2-methoxyphenyl)-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCOc1ccccc1-n1cnc(C(=O)Nc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C22H18N4O2/c1-28-20-14-8-7-13-19(20)26-15-23-21(25-26)22(27)24-18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-15H,1H3,(H,24,27)
InChIKeyRYBVNBFEYONKKX-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.20
Rot. Bonds5

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

1-(2-methoxyphenyl)-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 142724071) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID142724071
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name1-(2-methoxyphenyl)-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCOc1ccccc1-n1cnc(C(=O)Nc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C22H18N4O2/c1-28-20-14-8-7-13-19(20)26-15-23-21(25-26)22(27)24-18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-15H,1H3,(H,24,27)
InChIKeyRYBVNBFEYONKKX-UHFFFAOYSA-N
XLogP4.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide (CID 142724071) is 1-(2-methoxyphenyl)-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide is COc1ccccc1-n1cnc(C(=O)Nc2ccccc2-c2ccccc2)n1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is RYBVNBFEYONKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-20-14-8-7-13-19(20)26-15-23-21(25-26)22(27)24-18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-15H,1H3,(H,24,27).
What are the key properties of 1-(2-methoxyphenyl)-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide?
1-(2-methoxyphenyl)-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 142724071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).