5-amino-N-(2,3-dimethylphenyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxamide

C19H21N5O — CID 3239749

IUPAC5-amino-N-(2,3-dimethylphenyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccc(Cn2nnc(C(=O)Nc3cccc(C)c3C)c2N)cc1
InChIInChI=1S/C19H21N5O/c1-12-7-9-15(10-8-12)11-24-18(20)17(22-23-24)19(25)21-16-6-4-5-13(2)14(16)3/h4-10H,11,20H2,1-3H3,(H,21,25)
InChIKeyMFDPBVKBSJIZDS-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.09
Rot. Bonds4

About 5-amino-N-(2,3-dimethylphenyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxamide

5-amino-N-(2,3-dimethylphenyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxamide (PubChem CID 3239749) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-amino-N-(2,3-dimethylphenyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dimethylphenyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxamide
PubChem CID3239749
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-amino-N-(2,3-dimethylphenyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccc(Cn2nnc(C(=O)Nc3cccc(C)c3C)c2N)cc1
InChIInChI=1S/C19H21N5O/c1-12-7-9-15(10-8-12)11-24-18(20)17(22-23-24)19(25)21-16-6-4-5-13(2)14(16)3/h4-10H,11,20H2,1-3H3,(H,21,25)
InChIKeyMFDPBVKBSJIZDS-UHFFFAOYSA-N
XLogP3.09
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dimethylphenyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,3-dimethylphenyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxamide (CID 3239749) is 5-amino-N-(2,3-dimethylphenyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,3-dimethylphenyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,3-dimethylphenyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxamide is Cc1ccc(Cn2nnc(C(=O)Nc3cccc(C)c3C)c2N)cc1.
What is the InChIKey of 5-amino-N-(2,3-dimethylphenyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxamide?
The InChIKey is MFDPBVKBSJIZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-7-9-15(10-8-12)11-24-18(20)17(22-23-24)19(25)21-16-6-4-5-13(2)14(16)3/h4-10H,11,20H2,1-3H3,(H,21,25).
What are the key properties of 5-amino-N-(2,3-dimethylphenyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxamide?
5-amino-N-(2,3-dimethylphenyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dimethylphenyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 3239749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).