5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide

C25H23N5O2 — CID 86901245

IUPAC5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)cc1
InChIInChI=1S/C25H23N5O2/c1-17-24(25(32)27-21-12-8-18(9-13-21)16-23(31)26-2)28-29-30(17)22-14-10-20(11-15-22)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyUOYJYKZOSFOVMY-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.78
Rot. Bonds6

About 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide

5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide (PubChem CID 86901245) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide
PubChem CID86901245
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)cc1
InChIInChI=1S/C25H23N5O2/c1-17-24(25(32)27-21-12-8-18(9-13-21)16-23(31)26-2)28-29-30(17)22-14-10-20(11-15-22)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyUOYJYKZOSFOVMY-UHFFFAOYSA-N
XLogP3.78
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide
CID 155946723
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
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N-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide
CID 86901240
5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide
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CID 86952801
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CID 13162137
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
N-(4-butylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide
CID 17015341
1-(4-methylphenyl)-3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]thiourea
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CID 2137572
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CID 16648407
4-[[1-(4-chlorophenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 7464430

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide (CID 86901245) is 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide is CNC(=O)Cc1ccc(NC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)cc1.
What is the InChIKey of 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide?
The InChIKey is UOYJYKZOSFOVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-17-24(25(32)27-21-12-8-18(9-13-21)16-23(31)26-2)28-29-30(17)22-14-10-20(11-15-22)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide?
5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 86901245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).