5-methyl-1-[(2-phenylphenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)triazole-4-carboxamide

C26H25N5O — CID 25147791

IUPAC5-methyl-1-[(2-phenylphenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)CCNC3)nnn1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H25N5O/c1-18-25(26(32)28-23-12-11-21-16-27-14-13-20(21)15-23)29-30-31(18)17-22-9-5-6-10-24(22)19-7-3-2-4-8-19/h2-12,15,27H,13-14,16-17H2,1H3,(H,28,32)
InChIKeyYMFLXUIUZSRVDS-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.20
Rot. Bonds5

About 5-methyl-1-[(2-phenylphenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)triazole-4-carboxamide

5-methyl-1-[(2-phenylphenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)triazole-4-carboxamide (PubChem CID 25147791) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 5-methyl-1-[(2-phenylphenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-[(2-phenylphenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)triazole-4-carboxamide
PubChem CID25147791
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name5-methyl-1-[(2-phenylphenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)CCNC3)nnn1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H25N5O/c1-18-25(26(32)28-23-12-11-21-16-27-14-13-20(21)15-23)29-30-31(18)17-22-9-5-6-10-24(22)19-7-3-2-4-8-19/h2-12,15,27H,13-14,16-17H2,1H3,(H,28,32)
InChIKeyYMFLXUIUZSRVDS-UHFFFAOYSA-N
XLogP4.20
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-phenylphenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-[(2-phenylphenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)triazole-4-carboxamide (CID 25147791) is 5-methyl-1-[(2-phenylphenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-[(2-phenylphenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-[(2-phenylphenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)triazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3c(c2)CCNC3)nnn1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 5-methyl-1-[(2-phenylphenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)triazole-4-carboxamide?
The InChIKey is YMFLXUIUZSRVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-18-25(26(32)28-23-12-11-21-16-27-14-13-20(21)15-23)29-30-31(18)17-22-9-5-6-10-24(22)19-7-3-2-4-8-19/h2-12,15,27H,13-14,16-17H2,1H3,(H,28,32).
What are the key properties of 5-methyl-1-[(2-phenylphenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)triazole-4-carboxamide?
5-methyl-1-[(2-phenylphenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)triazole-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-phenylphenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)triazole-4-carboxamide is sourced from PubChem (CID 25147791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).