5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide

C20H23N5O — CID 27261131

IUPAC5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2nnn(-c3ccc(C(C)C)cc3)c2N)c1
InChIInChI=1S/C20H23N5O/c1-12(2)15-7-9-16(10-8-15)25-19(21)18(23-24-25)20(26)22-17-11-13(3)5-6-14(17)4/h5-12H,21H2,1-4H3,(H,22,26)
InChIKeyLOBMBQITDIXTHR-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.84
Rot. Bonds4

About 5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide

5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide (PubChem CID 27261131) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
PubChem CID27261131
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2nnn(-c3ccc(C(C)C)cc3)c2N)c1
InChIInChI=1S/C20H23N5O/c1-12(2)15-7-9-16(10-8-15)25-19(21)18(23-24-25)20(26)22-17-11-13(3)5-6-14(17)4/h5-12H,21H2,1-4H3,(H,22,26)
InChIKeyLOBMBQITDIXTHR-UHFFFAOYSA-N
XLogP3.84
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 17014925
5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015807
5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 27260956
5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 27262034
5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 17015721
1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 9152359
N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150262
5-amino-1-(3-chloro-4-methylphenyl)-N-methyltriazole-4-carboxamide
CID 6498307
5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide
CID 27245734
5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 4546892
5-amino-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,5-dimethylphenyl)triazole-4-carboxamide
CID 20923831
N-(5-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 2141051

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide (CID 27261131) is 5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide is Cc1ccc(C)c(NC(=O)c2nnn(-c3ccc(C(C)C)cc3)c2N)c1.
What is the InChIKey of 5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The InChIKey is LOBMBQITDIXTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-12(2)15-7-9-16(10-8-15)25-19(21)18(23-24-25)20(26)22-17-11-13(3)5-6-14(17)4/h5-12H,21H2,1-4H3,(H,22,26).
What are the key properties of 5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide?
5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 27261131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).